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

C12H13FN2O3 — CID 23607542

IUPAC1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H13FN2O3/c13-8-3-1-4-9(7-8)14-12(18)15-6-2-5-10(15)11(16)17/h1,3-4,7,10H,2,5-6H2,(H,14,18)(H,16,17)
InChIKeyOVTNJPUUEXPHHY-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.91
Rot. Bonds2

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

1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 23607542) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID23607542
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H13FN2O3/c13-8-3-1-4-9(7-8)14-12(18)15-6-2-5-10(15)11(16)17/h1,3-4,7,10H,2,5-6H2,(H,14,18)(H,16,17)
InChIKeyOVTNJPUUEXPHHY-UHFFFAOYSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Phenylcarbamoyl)proline
CID 2946785
1-[(4-Fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 651715
1-[(4-Chlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 9550269
2-((Phenylcarbamoyl)amino)propanoic acid
CID 3854733
N-[(2-fluorophenyl)carbamoyl]-L-valine
CID 946864
N-(4-Anilino-1-carboxy-4-oxobutyl)-L-alanyl-L-proline
CID 20834249
(S)-1-(o-tolylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510125
4-Hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
CID 2872333
(2S,3R)-2-(3-(2-fluorophenyl)ureido)-3-methylpentanoic acid
CID 16405314
(2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86287792
(2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86287795
1-Phenylpyrrolidine-2-carboxylic acid
CID 15157507

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 23607542) is 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OVTNJPUUEXPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-8-3-1-4-9(7-8)14-12(18)15-6-2-5-10(15)11(16)17/h1,3-4,7,10H,2,5-6H2,(H,14,18)(H,16,17).
What are the key properties of 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23607542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).