2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid

C19H19NO5 — CID 58679503

IUPAC2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)[C@H](O)[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C19H19NO5/c21-14(22)11-20-16(17(23)13-9-5-2-6-10-13)15(18(24)19(20)25)12-7-3-1-4-8-12/h1-10,15-18,23-24H,11H2,(H,21,22)/t15-,16-,17+,18-/m1/s1
InChIKeyNCPNSWIWKUTLJZ-ZJPYXAASSA-N
MW341.36 g/mol
LogP1.16
Rot. Bonds5

About 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid

2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid (PubChem CID 58679503) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid
PubChem CID58679503
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)[C@H](O)[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C19H19NO5/c21-14(22)11-20-16(17(23)13-9-5-2-6-10-13)15(18(24)19(20)25)12-7-3-1-4-8-12/h1-10,15-18,23-24H,11H2,(H,21,22)/t15-,16-,17+,18-/m1/s1
InChIKeyNCPNSWIWKUTLJZ-ZJPYXAASSA-N
XLogP1.16
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+/-)-Clausenamide
CID 5315946
7-[(R)-2-((E)-3-Biphenyl-3-yl-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44290312
(4R,5R)-5-[(S)-Hydroxy-(3-trifluoromethyl-phenyl)-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397898
(4R,5R)-5-((S)-Biphenyl-3-yl-hydroxy-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397951
(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one
CID 73354020
(+)Clausenamide
CID 128412
L-Clausenamide
CID 9904294
(-)-Cis-Clausenamide
CID 10125525
(+)-Epi-Neoclausenamide
CID 10149518
(+)Neoclausenamide
CID 10149519
(-)-Epi-Clausenamide
CID 10149520
(+)Cis-Clausenamide
CID 10171735

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid (CID 58679503) is 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid is O=C(O)CN1C(=O)[C@H](O)[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccccc1.
What is the InChIKey of 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid?
The InChIKey is NCPNSWIWKUTLJZ-ZJPYXAASSA-N. The full InChI is InChI=1S/C19H19NO5/c21-14(22)11-20-16(17(23)13-9-5-2-6-10-13)15(18(24)19(20)25)12-7-3-1-4-8-12/h1-10,15-18,23-24H,11H2,(H,21,22)/t15-,16-,17+,18-/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid?
2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid has a molecular weight of 341.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 58679503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).