2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid

C13H14N2O4 — CID 43396532

IUPAC2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
SMILESNC(=O)C1CCCN1C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H14N2O4/c14-11(16)10-6-3-7-15(10)12(17)8-4-1-2-5-9(8)13(18)19/h1-2,4-5,10H,3,6-7H2,(H2,14,16)(H,18,19)
InChIKeyLYPFTFJMAHIYIW-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.47
Rot. Bonds3

About 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid

2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid (PubChem CID 43396532) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
PubChem CID43396532
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
SMILESNC(=O)C1CCCN1C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H14N2O4/c14-11(16)10-6-3-7-15(10)12(17)8-4-1-2-5-9(8)13(18)19/h1-2,4-5,10H,3,6-7H2,(H2,14,16)(H,18,19)
InChIKeyLYPFTFJMAHIYIW-UHFFFAOYSA-N
XLogP0.47
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic 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

1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
1-(3-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 11492936
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
1-(2-phenylbenzoyl)azetidine-2-carboxamide
CID 67018285
1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 79884124
1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide
CID 60715718
1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 62848480
1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106852545
1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid?
The IUPAC name of 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid (CID 43396532) is 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid is NC(=O)C1CCCN1C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid?
The InChIKey is LYPFTFJMAHIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c14-11(16)10-6-3-7-15(10)12(17)8-4-1-2-5-9(8)13(18)19/h1-2,4-5,10H,3,6-7H2,(H2,14,16)(H,18,19).
What are the key properties of 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid?
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 43396532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).