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

C13H15FN2O3 — CID 79363795

IUPAC1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8-11(12(17)18)5-6-16(8)13(19)15-10-4-2-3-9(14)7-10/h2-4,7-8,11H,5-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyMSASKTYWSZDKDZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.15
Rot. Bonds2

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

1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79363795) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79363795
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8-11(12(17)18)5-6-16(8)13(19)15-10-4-2-3-9(14)7-10/h2-4,7-8,11H,5-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyMSASKTYWSZDKDZ-UHFFFAOYSA-N
XLogP2.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79766101
4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 115312295
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 127769677
1-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383497
N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79539437
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide
CID 97221670
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79363795) is 1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MSASKTYWSZDKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-11(12(17)18)5-6-16(8)13(19)15-10-4-2-3-9(14)7-10/h2-4,7-8,11H,5-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 2.15, 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]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79363795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).