1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid

C12H12N2O4 — CID 4914567

IUPAC1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNC(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C12H12N2O4/c13-11(16)7-1-3-9(4-2-7)14-6-8(12(17)18)5-10(14)15/h1-4,8H,5-6H2,(H2,13,16)(H,17,18)
InChIKeyCVSDMPGLYPGYGC-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.22
Rot. Bonds3

About 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 4914567) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID4914567
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNC(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C12H12N2O4/c13-11(16)7-1-3-9(4-2-7)14-6-8(12(17)18)5-10(14)15/h1-4,8H,5-6H2,(H2,13,16)(H,17,18)
InChIKeyCVSDMPGLYPGYGC-UHFFFAOYSA-N
XLogP0.22
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-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

(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7232453
(3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 51893801
5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 50888665
(3S)-N-(4-carbamoylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391052
1-[4-(4-aminophenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691781
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168602367
1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691772
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
(3S)-1-(4-carbonochloridoylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 98128605

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 4914567) is 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid is NC(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is CVSDMPGLYPGYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c13-11(16)7-1-3-9(4-2-7)14-6-8(12(17)18)5-10(14)15/h1-4,8H,5-6H2,(H2,13,16)(H,17,18).
What are the key properties of 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4914567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).