3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H16FNO3 — CID 103550637

IUPAC3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C14H16FNO3/c1-16(12-4-2-3-11(15)8-12)13(17)9-5-6-10(7-9)14(18)19/h2-4,8-10H,5-7H2,1H3,(H,18,19)
InChIKeyIYCGQUGJSUYZHI-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.29
Rot. Bonds3

About 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid

3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550637) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550637
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C14H16FNO3/c1-16(12-4-2-3-11(15)8-12)13(17)9-5-6-10(7-9)14(18)19/h2-4,8-10H,5-7H2,1H3,(H,18,19)
InChIKeyIYCGQUGJSUYZHI-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783681
(1S,6R)-6-[(3-fluorophenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962361
1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744236
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
4-[methyl-(3-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674140
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
N-(3-fluorophenyl)-N,5-dimethylpiperazine-2-carboxamide
CID 63103326
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
1-[(3-fluorophenyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782431
cis-(1S,3R)-3-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 129466151

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103550637) is 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid is CN(C(=O)C1CCC(C(=O)O)C1)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is IYCGQUGJSUYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-16(12-4-2-3-11(15)8-12)13(17)9-5-6-10(7-9)14(18)19/h2-4,8-10H,5-7H2,1H3,(H,18,19).
What are the key properties of 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).