1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H12F2N2O3 — CID 61189559

IUPAC1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O3/c13-7-4-8(14)6-9(5-7)15-12(19)16-3-1-2-10(16)11(17)18/h4-6,10H,1-3H2,(H,15,19)(H,17,18)
InChIKeyQUMXVZARQZRBMY-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.05
Rot. Bonds2

About 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61189559) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61189559
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Name1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O3/c13-7-4-8(14)6-9(5-7)15-12(19)16-3-1-2-10(16)11(17)18/h4-6,10H,1-3H2,(H,15,19)(H,17,18)
InChIKeyQUMXVZARQZRBMY-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

1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114254226
1-[(3,5-dichloro-4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107576464
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-[(2,3,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62812905
1-[(3,5-dichloro-4-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 107576495
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
1-[(3,5-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185284
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61189559) is 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QUMXVZARQZRBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-7-4-8(14)6-9(5-7)15-12(19)16-3-1-2-10(16)11(17)18/h4-6,10H,1-3H2,(H,15,19)(H,17,18).
What are the key properties of 1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(3,5-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-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61189559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).