(2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid

C6H7NO4 — CID 141140811

IUPAC(2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid
SMILESO=C=C1[C@@H](C(=O)O)NC[C@@H]1O
InChIInChI=1S/C6H7NO4/c8-2-3-4(9)1-7-5(3)6(10)11/h4-5,7,9H,1H2,(H,10,11)/t4-,5-/m0/s1
InChIKeySUZXALVCNOCBSD-WHFBIAKZSA-N
MW157.12 g/mol
LogP-1.84
Rot. Bonds1

About (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid (PubChem CID 141140811) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid
PubChem CID141140811
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name(2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid
SMILESO=C=C1[C@@H](C(=O)O)NC[C@@H]1O
InChIInChI=1S/C6H7NO4/c8-2-3-4(9)1-7-5(3)6(10)11/h4-5,7,9H,1H2,(H,10,11)/t4-,5-/m0/s1
InChIKeySUZXALVCNOCBSD-WHFBIAKZSA-N
XLogP-1.84
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

Analyze (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-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,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid (CID 141140811) is (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid is O=C=C1[C@@H](C(=O)O)NC[C@@H]1O.
What is the InChIKey of (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid?
The InChIKey is SUZXALVCNOCBSD-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H7NO4/c8-2-3-4(9)1-7-5(3)6(10)11/h4-5,7,9H,1H2,(H,10,11)/t4-,5-/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141140811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).