1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid

C14H16FNO3 — CID 43329516

IUPAC1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)9-12(17)16-14(13(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyQSZSRRPUUPNGEY-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.88
Rot. Bonds4

About 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43329516) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43329516
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)9-12(17)16-14(13(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyQSZSRRPUUPNGEY-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 119350665
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 119176556
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[[2-(3-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910172
1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 166235429
1-[[2-(3-ethylsulfonylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120531000
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43329516) is 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1cccc(F)c1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QSZSRRPUUPNGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)9-12(17)16-14(13(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43329516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).