(2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine

C100H126N6O16 — CID 157327676

IUPAC(2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine
SMILESCC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1CO.CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.CC(C)[C@H](C)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.CC(C)[C@H](N)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.c1ccc(OC[C@@H]2C[C@H](Oc3ccccc3)CN2)cc1
InChIInChI=1S/C23H29NO3.C22H28N2O3.C22H27NO4.C17H19NO2.C16H23NO4/c1-17(2)18(3)23(25)24-15-22(27-21-12-8-5-9-13-21)14-19(24)16-26-20-10-6-4-7-11-20;1-16(2)21(23)22(25)24-14-20(27-19-11-7-4-8-12-19)13-17(24)15-26-18-9-5-3-6-10-18;1-22(2,3)27-21(24)23-15-20(26-19-12-8-5-9-13-19)14-17(23)16-25-18-10-6-4-7-11-18;1-3-7-15(8-4-1)19-13-14-11-17(12-18-14)20-16-9-5-2-6-10-16;1-16(2,3)21-15(19)17-10-14(9-12(17)11-18)20-13-7-5-4-6-8-13/h4-13,17-19,22H,14-16H2,1-3H3;3-12,16-17,20-21H,13-15,23H2,1-2H3;4-13,17,20H,14-16H2,1-3H3;1-10,14,17-18H,11-13H2;4-8,12,14,18H,9-11H2,1-3H3/t18-,19-,22-;17-,20-,21-;17-,20-;14-,17-;12-,14-/m00000/s1
InChIKeyBEXODDGNKLBUPP-YPIUJBNYSA-N
MW1668.13 g/mol
LogP17.34
Rot. Bonds27

About (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine

(2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine (PubChem CID 157327676) has the molecular formula C100H126N6O16 and a molecular weight of 1668.13 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine
PubChem CID157327676
Molecular FormulaC100H126N6O16
Molecular Weight1668.13 g/mol
Exact Mass1666.92
IUPAC Name(2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine
SMILESCC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1CO.CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.CC(C)[C@H](C)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.CC(C)[C@H](N)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.c1ccc(OC[C@@H]2C[C@H](Oc3ccccc3)CN2)cc1
InChIInChI=1S/C23H29NO3.C22H28N2O3.C22H27NO4.C17H19NO2.C16H23NO4/c1-17(2)18(3)23(25)24-15-22(27-21-12-8-5-9-13-21)14-19(24)16-26-20-10-6-4-7-11-20;1-16(2)21(23)22(25)24-14-20(27-19-11-7-4-8-12-19)13-17(24)15-26-18-9-5-3-6-10-18;1-22(2,3)27-21(24)23-15-20(26-19-12-8-5-9-13-19)14-17(23)16-25-18-10-6-4-7-11-18;1-3-7-15(8-4-1)19-13-14-11-17(12-18-14)20-16-9-5-2-6-10-16;1-16(2,3)21-15(19)17-10-14(9-12(17)11-18)20-13-7-5-4-6-8-13/h4-13,17-19,22H,14-16H2,1-3H3;3-12,16-17,20-21H,13-15,23H2,1-2H3;4-13,17,20H,14-16H2,1-3H3;1-10,14,17-18H,11-13H2;4-8,12,14,18H,9-11H2,1-3H3/t18-,19-,22-;17-,20-,21-;17-,20-;14-,17-;12-,14-/m00000/s1
InChIKeyBEXODDGNKLBUPP-YPIUJBNYSA-N
XLogP17.34
TPSA241.05 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.13
LogP ≤ 517.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine with MolForge

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Related Compounds

(2S)-2-amino-3-methyl-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine
CID 157327675
(2S)-2-amino-1-[(2S,4S)-2-[(E)-3-(2-ethylphenoxy)prop-1-enyl]-4-phenoxypyrrolidin-1-yl]-3-methylbutan-1-one;tert-butyl (2S,4S)-2-[(E)-3-(2-ethylphenoxy)prop-1-enyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[(E)-3-hydroxyprop-1-enyl]-4-phenoxypyrrolidine-1-carboxylate;1-ethyl-2-[(E)-3-[(1S,3R)-3-phenoxycyclopentyl]prop-2-enoxy]benzene;(2S)-1-[(2S,4S)-2-[(E)-3-(2-ethylphenoxy)prop-1-enyl]-4-phenoxypyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 157540909
tert-butyl (2R,4S)-2-[3-(2-ethylphenoxy)propyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-[(2R,4S)-2-[3-(2-ethylphenoxy)propyl]-4-phenoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;tert-butyl (2S,4S)-2-[(E)-3-hydroxyprop-1-enyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,4S)-2-(3-hydroxypropyl)-4-phenoxypyrrolidine-1-carboxylate;(2R,4S)-2-[3-(2-ethylphenoxy)propyl]-4-phenoxypyrrolidine
CID 157683744
benzyl N-[(5S)-5-amino-6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;N-[(2S,9S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,13-bis(hex-5-ynoylamino)-1,8-dioxotridecan-2-yl]-2,6-bis(hex-5-ynoylamino)hexanamide;N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-1,8-dioxotridec-12-yn-2-yl]hex-5-ynamide;(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrrolidin-3-ol;(2S)-2,6-diamino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;2,6-diamino-N-[(2S,9S)-9,13-diamino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-1,8-dioxotridecan-2-yl]hexanamide;methane;(2S)-2-methylheptanoic acid
CID 157718167
(2S)-2-amino-1-[(2S,4S)-2-[(E)-3-(2-ethylphenoxy)prop-1-enyl]-4-phenoxypyrrolidin-1-yl]-3-methylbutan-1-one;tert-butyl (2S,4S)-2-[(E)-3-(2-ethylphenoxy)prop-1-enyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[(E)-3-hydroxyprop-1-enyl]-4-phenoxypyrrolidine-1-carboxylate;(2S,4S)-2-[(E)-3-(2-ethylphenoxy)prop-1-enyl]-4-phenoxypyrrolidine;(2S)-1-[(2S,4S)-2-[(E)-3-(2-ethylphenoxy)prop-1-enyl]-4-phenoxypyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 157908133
tert-butyl (2S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine
CID 158156623
(2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]carbamate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine
CID 158190721
tert-butyl (2R,4S)-2-[3-(2-ethylphenoxy)propyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[(E)-3-hydroxyprop-1-enyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,4S)-2-(3-hydroxypropyl)-4-phenoxypyrrolidine-1-carboxylate;(2R,4S)-2-[3-(2-ethylphenoxy)propyl]-4-phenoxypyrrolidine;(2S)-1-[(2R,4S)-2-[3-(2-ethylphenoxy)propyl]-4-phenoxypyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 158312367
Dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide
CID 158394895
(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide;(2S)-2-amino-3-methyl-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide;hydrochloride
CID 158409753
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-fluorophenoxy)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluorophenol;(2S)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl (2S,4S)-1-[(2S,3R)-2-amino-3-methoxybutanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylate;methyl (2S,4S)-4-(4-fluorophenoxy)-1-[(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-(4-fluorophenoxy)pyrrolidine-2-carboxylate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;dihydrochloride
CID 159295765
(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[15.2.2.17,10]docosa-1(20),17(21),18-triene-9-carboxylic acid;bis(methyl (7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[15.2.2.17,10]docosa-1(20),17(21),18-triene-9-carboxylate);methyl (2S,4R)-1-[(2S)-2-cyclohexyl-2-[3-(4-hydroxyphenyl)propanoylamino]acetyl]-4-(3-hydroxypropoxy)pyrrolidine-2-carboxylate
CID 160071238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine (CID 157327676) is (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine is CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1CO.CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.CC(C)[C@H](C)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.CC(C)[C@H](N)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1COc1ccccc1.c1ccc(OC[C@@H]2C[C@H](Oc3ccccc3)CN2)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine?
The InChIKey is BEXODDGNKLBUPP-YPIUJBNYSA-N. The full InChI is InChI=1S/C23H29NO3.C22H28N2O3.C22H27NO4.C17H19NO2.C16H23NO4/c1-17(2)18(3)23(25)24-15-22(27-21-12-8-5-9-13-21)14-19(24)16-26-20-10-6-4-7-11-20;1-16(2)21(23)22(25)24-14-20(27-19-11-7-4-8-12-19)13-17(24)15-26-18-9-5-3-6-10-18;1-22(2,3)27-21(24)23-15-20(26-19-12-8-5-9-13-19)14-17(23)16-25-18-10-6-4-7-11-18;1-3-7-15(8-4-1)19-13-14-11-17(12-18-14)20-16-9-5-2-6-10-16;1-16(2,3)21-15(19)17-10-14(9-12(17)11-18)20-13-7-5-4-6-8-13/h4-13,17-19,22H,14-16H2,1-3H3;3-12,16-17,20-21H,13-15,23H2,1-2H3;4-13,17,20H,14-16H2,1-3H3;1-10,14,17-18H,11-13H2;4-8,12,14,18H,9-11H2,1-3H3/t18-,19-,22-;17-,20-,21-;17-,20-;14-,17-;12-,14-/m00000/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine?
(2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine has a molecular weight of 1668.13 g/mol, XLogP of 17.34, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(2S)-2,3-dimethyl-1-[(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one;(2S,4S)-4-phenoxy-2-(phenoxymethyl)pyrrolidine is sourced from PubChem (CID 157327676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).