(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid

C12H14N2O3 — CID 78923013

IUPAC(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
SMILESNc1ccccc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H14N2O3/c13-9-5-2-1-4-8(9)11(15)14-7-3-6-10(14)12(16)17/h1-2,4-5,10H,3,6-7,13H2,(H,16,17)/t10-/m1/s1
InChIKeyRYPQGXGJHCWKCT-SNVBAGLBSA-N
MW234.25 g/mol
LogP0.96
Rot. Bonds2

About (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78923013) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID78923013
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
SMILESNc1ccccc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H14N2O3/c13-9-5-2-1-4-8(9)11(15)14-7-3-6-10(14)12(16)17/h1-2,4-5,10H,3,6-7,13H2,(H,16,17)/t10-/m1/s1
InChIKeyRYPQGXGJHCWKCT-SNVBAGLBSA-N
XLogP0.96
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-1-(2-aminobenzoyl)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

Related Compounds

1-(2-amino-4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 79723645
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
1-[2-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 82179126
1-(2-sulfanylbenzoyl)piperidine-2-carboxylic acid
CID 10422982
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2R)-1-(5-amino-2-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 113281253
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
1-[2-[[2-(2-carboxypiperidine-1-carbonyl)phenyl]disulfanyl]benzoyl]piperidine-2-carboxylic acid
CID 10346856
(2R)-1-[2-(cyanomethylsulfanyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 78922073
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
(2R)-1-[2-(trifluoromethylsulfanyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 78920221

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid (CID 78923013) is (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid is Nc1ccccc1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RYPQGXGJHCWKCT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-9-5-2-1-4-8(9)11(15)14-7-3-6-10(14)12(16)17/h1-2,4-5,10H,3,6-7,13H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).