1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid

C14H17FN2O3 — CID 63721839

IUPAC1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CC(C)C(C(=O)O)C2)ccc1F
InChIInChI=1S/C14H17FN2O3/c1-8-5-10(3-4-12(8)15)16-14(20)17-6-9(2)11(7-17)13(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIMHWHEUIUKFNOQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.32
Rot. Bonds2

About 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid

1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721839) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721839
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CC(C)C(C(=O)O)C2)ccc1F
InChIInChI=1S/C14H17FN2O3/c1-8-5-10(3-4-12(8)15)16-14(20)17-6-9(2)11(7-17)13(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIMHWHEUIUKFNOQ-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 104780124
benzyl (3S,4R)-3-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-1-carboxylate
CID 163269815
2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 62812742
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113111714
1-[(4-methoxy-2-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721672
(3aS,7aR)-N-(3-fluoro-4-methylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 72872228
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
4-amino-N-(4-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 68909816
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63721839) is 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid is Cc1cc(NC(=O)N2CC(C)C(C(=O)O)C2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is IMHWHEUIUKFNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8-5-10(3-4-12(8)15)16-14(20)17-6-9(2)11(7-17)13(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).