(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane

C144H225FN24O21S2 — CID 157110251

IUPAC(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.Cc1ccc([C@H](O)[C@@H](N)C(=O)N2CCCC2)cc1.NC(C(=O)N1CCCC1)C(O)c1ccsc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(-c2ccccc2)cc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(F)cc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1cccnc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccnc2ccccc12.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccoc1.N[C@@H](C(=O)N1CCCCC1)[C@@H](O)c1ccncc1.N[C@@H](C(=O)N1CCCCC1)[C@@H](O)c1ccsc1
InChIInChI=1S/C19H22N2O2.C16H19N3O2.C14H20N2O2.C13H17FN2O2.C13H19N3O2.2C12H17N3O2.C12H18N2O2S.C11H16N2O3.C11H16N2O2S.11CH4/c20-17(19(23)21-12-4-5-13-21)18(22)16-10-8-15(9-11-16)14-6-2-1-3-7-14;17-14(16(21)19-9-3-4-10-19)15(20)12-7-8-18-13-6-2-1-5-11(12)13;1-10-4-6-11(7-5-10)13(17)12(15)14(18)16-8-2-3-9-16;14-10-5-3-9(4-6-10)12(17)11(15)13(18)16-7-1-2-8-16;14-11(12(17)10-4-6-15-7-5-10)13(18)16-8-2-1-3-9-16;13-10(12(17)15-7-1-2-8-15)11(16)9-3-5-14-6-4-9;13-10(12(17)15-6-1-2-7-15)11(16)9-4-3-5-14-8-9;13-10(11(15)9-4-7-17-8-9)12(16)14-5-2-1-3-6-14;2*12-9(10(14)8-3-6-16-7-8)11(15)13-4-1-2-5-13;;;;;;;;;;;/h1-3,6-11,17-18,22H,4-5,12-13,20H2;1-2,5-8,14-15,20H,3-4,9-10,17H2;4-7,12-13,17H,2-3,8-9,15H2,1H3;3-6,11-12,17H,1-2,7-8,15H2;4-7,11-12,17H,1-3,8-9,14H2;3-6,10-11,16H,1-2,7-8,13H2;3-5,8,10-11,16H,1-2,6-7,13H2;4,7-8,10-11,15H,1-3,5-6,13H2;2*3,6-7,9-10,14H,1-2,4-5,12H2;11*1H4/t17-,18+;14-,15+;12-,13+;2*11-,12+;3*10-,11+;9-,10+;;;;;;;;;;;;/m111111111............/s1
InChIKeyAGTOAHKHHIRMBD-QAGDGLMBSA-N
MW2711.66 g/mol
LogP15.04
Rot. Bonds31

About (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane

(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane (PubChem CID 157110251) has the molecular formula C144H225FN24O21S2 and a molecular weight of 2711.66 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane
PubChem CID157110251
Molecular FormulaC144H225FN24O21S2
Molecular Weight2711.66 g/mol
Exact Mass2709.67
IUPAC Name(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.Cc1ccc([C@H](O)[C@@H](N)C(=O)N2CCCC2)cc1.NC(C(=O)N1CCCC1)C(O)c1ccsc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(-c2ccccc2)cc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(F)cc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1cccnc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccnc2ccccc12.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccoc1.N[C@@H](C(=O)N1CCCCC1)[C@@H](O)c1ccncc1.N[C@@H](C(=O)N1CCCCC1)[C@@H](O)c1ccsc1
InChIInChI=1S/C19H22N2O2.C16H19N3O2.C14H20N2O2.C13H17FN2O2.C13H19N3O2.2C12H17N3O2.C12H18N2O2S.C11H16N2O3.C11H16N2O2S.11CH4/c20-17(19(23)21-12-4-5-13-21)18(22)16-10-8-15(9-11-16)14-6-2-1-3-7-14;17-14(16(21)19-9-3-4-10-19)15(20)12-7-8-18-13-6-2-1-5-11(12)13;1-10-4-6-11(7-5-10)13(17)12(15)14(18)16-8-2-3-9-16;14-10-5-3-9(4-6-10)12(17)11(15)13(18)16-7-1-2-8-16;14-11(12(17)10-4-6-15-7-5-10)13(18)16-8-2-1-3-9-16;13-10(12(17)15-7-1-2-8-15)11(16)9-3-5-14-6-4-9;13-10(12(17)15-6-1-2-7-15)11(16)9-4-3-5-14-8-9;13-10(11(15)9-4-7-17-8-9)12(16)14-5-2-1-3-6-14;2*12-9(10(14)8-3-6-16-7-8)11(15)13-4-1-2-5-13;;;;;;;;;;;/h1-3,6-11,17-18,22H,4-5,12-13,20H2;1-2,5-8,14-15,20H,3-4,9-10,17H2;4-7,12-13,17H,2-3,8-9,15H2,1H3;3-6,11-12,17H,1-2,7-8,15H2;4-7,11-12,17H,1-3,8-9,14H2;3-6,10-11,16H,1-2,7-8,13H2;3-5,8,10-11,16H,1-2,6-7,13H2;4,7-8,10-11,15H,1-3,5-6,13H2;2*3,6-7,9-10,14H,1-2,4-5,12H2;11*1H4/t17-,18+;14-,15+;12-,13+;2*11-,12+;3*10-,11+;9-,10+;;;;;;;;;;;;/m111111111............/s1
InChIKeyAGTOAHKHHIRMBD-QAGDGLMBSA-N
XLogP15.04
TPSA730.30 Ų
H-Bond Donors20
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002711.66
LogP ≤ 515.04
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1037

Analyze (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane with MolForge

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Launch Full Analysis

Related Compounds

2-Amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane
CID 157110252
4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid
CID 157170096
(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 158282502
2-Amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 158282503
CID 159222051
CID 159222051
N,N-diethyl-4-[[1-(furan-2-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide;furan-2-carbaldehyde;furan-3-carbaldehyde;thiophene-2-carbaldehyde
CID 159360643
ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline
CID 159531756
2-[2-Amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone
CID 159778910
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(3,4-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid;2-(furan-2-yl)-2-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;2-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-(1H-indol-3-yl)acetic acid;2-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-phenylacetic acid;2-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-thiophen-2-ylacetic acid
CID 160113432
CID 160894674
CID 160894674
4-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;4-[3-(4-cyclopropyl-1H-indol-3-yl)-3-methylbutanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-3-methylbutanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-methyl-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid
CID 161679855
(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 162260664

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane?
The IUPAC name of (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane (CID 157110251) is (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane.
What is the SMILES notation for (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane?
The canonical SMILES for (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane is C.C.C.C.C.C.C.C.C.C.C.Cc1ccc([C@H](O)[C@@H](N)C(=O)N2CCCC2)cc1.NC(C(=O)N1CCCC1)C(O)c1ccsc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(-c2ccccc2)cc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(F)cc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1cccnc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccnc2ccccc12.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccoc1.N[C@@H](C(=O)N1CCCCC1)[C@@H](O)c1ccncc1.N[C@@H](C(=O)N1CCCCC1)[C@@H](O)c1ccsc1.
What is the InChIKey of (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane?
The InChIKey is AGTOAHKHHIRMBD-QAGDGLMBSA-N. The full InChI is InChI=1S/C19H22N2O2.C16H19N3O2.C14H20N2O2.C13H17FN2O2.C13H19N3O2.2C12H17N3O2.C12H18N2O2S.C11H16N2O3.C11H16N2O2S.11CH4/c20-17(19(23)21-12-4-5-13-21)18(22)16-10-8-15(9-11-16)14-6-2-1-3-7-14;17-14(16(21)19-9-3-4-10-19)15(20)12-7-8-18-13-6-2-1-5-11(12)13;1-10-4-6-11(7-5-10)13(17)12(15)14(18)16-8-2-3-9-16;14-10-5-3-9(4-6-10)12(17)11(15)13(18)16-7-1-2-8-16;14-11(12(17)10-4-6-15-7-5-10)13(18)16-8-2-1-3-9-16;13-10(12(17)15-7-1-2-8-15)11(16)9-3-5-14-6-4-9;13-10(12(17)15-6-1-2-7-15)11(16)9-4-3-5-14-8-9;13-10(11(15)9-4-7-17-8-9)12(16)14-5-2-1-3-6-14;2*12-9(10(14)8-3-6-16-7-8)11(15)13-4-1-2-5-13;;;;;;;;;;;/h1-3,6-11,17-18,22H,4-5,12-13,20H2;1-2,5-8,14-15,20H,3-4,9-10,17H2;4-7,12-13,17H,2-3,8-9,15H2,1H3;3-6,11-12,17H,1-2,7-8,15H2;4-7,11-12,17H,1-3,8-9,14H2;3-6,10-11,16H,1-2,7-8,13H2;3-5,8,10-11,16H,1-2,6-7,13H2;4,7-8,10-11,15H,1-3,5-6,13H2;2*3,6-7,9-10,14H,1-2,4-5,12H2;11*1H4/t17-,18+;14-,15+;12-,13+;2*11-,12+;3*10-,11+;9-,10+;;;;;;;;;;;;/m111111111............/s1.
What are the key properties of (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane?
(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane has a molecular weight of 2711.66 g/mol, XLogP of 15.04, 31 rotatable bonds, 20 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane is sourced from PubChem (CID 157110251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).