1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid

C16H21NO3 — CID 119176767

IUPAC1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCCc1ccc(CC(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-2-12-5-7-13(8-6-12)11-14(18)17-16(15(19)20)9-3-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyWNHQYGMHUOIWSL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.31
Rot. Bonds5

About 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119176767) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119176767
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCCc1ccc(CC(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-2-12-5-7-13(8-6-12)11-14(18)17-16(15(19)20)9-3-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyWNHQYGMHUOIWSL-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 91834717
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-(4-ethylanilino)cyclohexane-1-carboxylic acid
CID 71564845
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-(3-ethylsulfonylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120531000
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 119176767) is 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid is CCc1ccc(CC(=O)NC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WNHQYGMHUOIWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-12-5-7-13(8-6-12)11-14(18)17-16(15(19)20)9-3-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).