1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H15FN2O3 — CID 61195010

IUPAC1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H15FN2O3/c14-10-4-1-3-9(7-10)8-15-13(19)16-6-2-5-11(16)12(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,15,19)(H,17,18)
InChIKeyROBXJSSNSBVVHE-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.58
Rot. Bonds3

About 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61195010) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61195010
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H15FN2O3/c14-10-4-1-3-9(7-10)8-15-13(19)16-6-2-5-11(16)12(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,15,19)(H,17,18)
InChIKeyROBXJSSNSBVVHE-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-fluorophenyl)methylcarbamoyl]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

(2S)-1-[(3-fluorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid
CID 87886541
(2S)-1-[(3-bromophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54595787
(2R)-1-[(3-bromophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922791
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61204446
(2R)-1-[(3-nitrophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923149
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
3-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61200147

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 61195010) is 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ROBXJSSNSBVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-4-1-3-9(7-10)8-15-13(19)16-6-2-5-11(16)12(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61195010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).