1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H12F2N2O3 — CID 61185440

IUPAC1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2O3/c13-8-4-3-7(6-9(8)14)15-12(19)16-5-1-2-10(16)11(17)18/h3-4,6,10H,1-2,5H2,(H,15,19)(H,17,18)
InChIKeyZHVDJKRTRXVLDE-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.05
Rot. Bonds2

About 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61185440) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61185440
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Name1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2O3/c13-8-4-3-7(6-9(8)14)15-12(19)16-5-1-2-10(16)11(17)18/h3-4,6,10H,1-2,5H2,(H,15,19)(H,17,18)
InChIKeyZHVDJKRTRXVLDE-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104979945
(2S)-1-[(3-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62316004
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
(2S)-1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185659
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-[(3,5-dichloro-4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107576464
(2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107792036
1-[(3-bromo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63334627
(2R)-1-[(3-iodo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114257751

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61185440) is 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZHVDJKRTRXVLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-8-4-3-7(6-9(8)14)15-12(19)16-5-1-2-10(16)11(17)18/h3-4,6,10H,1-2,5H2,(H,15,19)(H,17,18).
What are the key properties of 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61185440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).