3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid

C14H16FNO3 — CID 66032533

IUPAC3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1F
InChIInChI=1S/C14H16FNO3/c1-8-2-3-9(7-12(8)15)13(17)16-11-5-4-10(6-11)14(18)19/h2-3,7,10-11H,4-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyXATKXEAEQVDVME-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds3

About 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032533) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032533
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1F
InChIInChI=1S/C14H16FNO3/c1-8-2-3-9(7-12(8)15)13(17)16-11-5-4-10(6-11)14(18)19/h2-3,7,10-11H,4-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyXATKXEAEQVDVME-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678433
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 154782864
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321411
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 66032533) is 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is XATKXEAEQVDVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8-2-3-9(7-12(8)15)13(17)16-11-5-4-10(6-11)14(18)19/h2-3,7,10-11H,4-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).