(2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid

C13H13NO6 — CID 11173512

IUPAC(2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C[C@@H]1[C@@H](C(=O)O)NC(=O)[C@@H]1c1ccccc1O
InChIInChI=1S/C13H13NO6/c15-8-4-2-1-3-6(8)10-7(5-9(16)17)11(13(19)20)14-12(10)18/h1-4,7,10-11,15H,5H2,(H,14,18)(H,16,17)(H,19,20)/t7-,10+,11-/m0/s1
InChIKeyOPFQUFNPVNOUDL-XROYCOCOSA-N
MW279.25 g/mol
LogP0.15
Rot. Bonds4

About (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid

(2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 11173512) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID11173512
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name(2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C[C@@H]1[C@@H](C(=O)O)NC(=O)[C@@H]1c1ccccc1O
InChIInChI=1S/C13H13NO6/c15-8-4-2-1-3-6(8)10-7(5-9(16)17)11(13(19)20)14-12(10)18/h1-4,7,10-11,15H,5H2,(H,14,18)(H,16,17)(H,19,20)/t7-,10+,11-/m0/s1
InChIKeyOPFQUFNPVNOUDL-XROYCOCOSA-N
XLogP0.15
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 11173512) is (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C[C@@H]1[C@@H](C(=O)O)NC(=O)[C@@H]1c1ccccc1O.
What is the InChIKey of (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is OPFQUFNPVNOUDL-XROYCOCOSA-N. The full InChI is InChI=1S/C13H13NO6/c15-8-4-2-1-3-6(8)10-7(5-9(16)17)11(13(19)20)14-12(10)18/h1-4,7,10-11,15H,5H2,(H,14,18)(H,16,17)(H,19,20)/t7-,10+,11-/m0/s1.
What are the key properties of (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
(2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 279.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11173512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).