3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

C13H14FNO4 — CID 107013675

IUPAC3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1c(O)cccc1F
InChIInChI=1S/C13H14FNO4/c14-9-2-1-3-10(16)11(9)12(17)15-8-5-4-7(6-8)13(18)19/h1-3,7-8,16H,4-6H2,(H,15,17)(H,18,19)
InChIKeyXKJNCBGKYYGETK-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.51
Rot. Bonds3

About 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 107013675) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID107013675
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1c(O)cccc1F
InChIInChI=1S/C13H14FNO4/c14-9-2-1-3-10(16)11(9)12(17)15-8-5-4-7(6-8)13(18)19/h1-3,7-8,16H,4-6H2,(H,15,17)(H,18,19)
InChIKeyXKJNCBGKYYGETK-UHFFFAOYSA-N
XLogP1.51
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
CID 104920582
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 107013675) is 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1c(O)cccc1F.
What is the InChIKey of 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is XKJNCBGKYYGETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-9-2-1-3-10(16)11(9)12(17)15-8-5-4-7(6-8)13(18)19/h1-3,7-8,16H,4-6H2,(H,15,17)(H,18,19).
What are the key properties of 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107013675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).