(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

C120H164N22O19S2 — CID 158282502

About (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

(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 (PubChem CID 158282502) has the molecular formula C120H164N22O19S2 and a molecular weight of 2282.90 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 158282502
• Molecular Formula: C120H164N22O19S2
• Molecular Weight: 2282.90 g/mol
• Exact Mass: 2281.20
• IUPAC Name: (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
• SMILES: 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)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
• InChI: InChI=1S/C19H22N2O2.C16H19N3O2.C14H20N2O2.C13H19N3O2.2C12H17N3O2.C12H18N2O2S.C11H16N2O3.C11H16N2O2S/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;14-11(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;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/t17-,18+;14-,15+;12-,13+;11-,12+;3*10-,11+;9-,10+;/m11111111./s1
• InChIKey: GKJNMUDJEHIXJQ-CWSPGCTKSA-N
• XLogP: 7.23
• TPSA: 663.74 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2282.90
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is 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)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-(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?

The InChIKey is GKJNMUDJEHIXJQ-CWSPGCTKSA-N. The full InChI is InChI=1S/C19H22N2O2.C16H19N3O2.C14H20N2O2.C13H19N3O2.2C12H17N3O2.C12H18N2O2S.C11H16N2O3.C11H16N2O2S/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;14-11(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;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/t17-,18+;14-,15+;12-,13+;11-,12+;3*10-,11+;9-,10+;/m11111111./s1.

What are the key properties of (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?

(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 has a molecular weight of 2282.90 g/mol, XLogP of 7.23, 28 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 158282502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).