2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

C9H12N2O4 — CID 164653754

IUPAC2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C9H12N2O4/c12-7(4-3-5(4)9(14)15)11-6-1-2-10-8(6)13/h4-6H,1-3H2,(H,10,13)(H,11,12)(H,14,15)/t4?,5?,6-/m0/s1
InChIKeyHKEBUGCJKPGCFH-WRVKLSGPSA-N
MW212.20 g/mol
LogP-1.29
Rot. Bonds3

About 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 164653754) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID164653754
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C9H12N2O4/c12-7(4-3-5(4)9(14)15)11-6-1-2-10-8(6)13/h4-6H,1-3H2,(H,10,13)(H,11,12)(H,14,15)/t4?,5?,6-/m0/s1
InChIKeyHKEBUGCJKPGCFH-WRVKLSGPSA-N
XLogP-1.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-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

Related Compounds

3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550647
4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide
CID 62783041
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106184637
1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea
CID 129160773
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide
CID 164647044
cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092484
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
3,3-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 58432563
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]cyclopropane-1-carboxamide
CID 124731814
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 164653754) is 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N[C@H]1CCNC1=O.
What is the InChIKey of 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HKEBUGCJKPGCFH-WRVKLSGPSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-7(4-3-5(4)9(14)15)11-6-1-2-10-8(6)13/h4-6H,1-3H2,(H,10,13)(H,11,12)(H,14,15)/t4?,5?,6-/m0/s1.
What are the key properties of 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of -1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 164653754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).