(3R)-2-oxopyrrolidine-3-carboxylic acid

C5H7NO3 — CID 92974819

IUPAC(3R)-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCNC1=O
InChIInChI=1S/C5H7NO3/c7-4-3(5(8)9)1-2-6-4/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1
InChIKeyHPQCENXKIPSQSA-GSVOUGTGSA-N
MW129.11 g/mol
LogP-0.79
Rot. Bonds1

About (3R)-2-oxopyrrolidine-3-carboxylic acid

(3R)-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 92974819) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (3R)-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-oxopyrrolidine-3-carboxylic acid
PubChem CID92974819
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(3R)-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCNC1=O
InChIInChI=1S/C5H7NO3/c7-4-3(5(8)9)1-2-6-4/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1
InChIKeyHPQCENXKIPSQSA-GSVOUGTGSA-N
XLogP-0.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-2-oxopyrrolidine-3-carboxylic acid (CID 92974819) is (3R)-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-2-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCNC1=O.
What is the InChIKey of (3R)-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is HPQCENXKIPSQSA-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7NO3/c7-4-3(5(8)9)1-2-6-4/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1.
What are the key properties of (3R)-2-oxopyrrolidine-3-carboxylic acid?
(3R)-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 92974819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).