1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid

C15H16N2O3 — CID 24705520

IUPAC1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C15H16N2O3/c16-10-11-4-6-12(7-5-11)13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,17,18)(H,19,20)
InChIKeyHGXMIPPKJVRTFH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.08
Rot. Bonds3

About 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid

1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 24705520) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID24705520
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C15H16N2O3/c16-10-11-4-6-12(7-5-11)13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,17,18)(H,19,20)
InChIKeyHGXMIPPKJVRTFH-UHFFFAOYSA-N
XLogP2.08
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[(4-cyanophenyl)methylsulfonylamino]cyclohexane-1-carboxylic acid
CID 153387625
1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120539085
1-(4-cyanoanilino)cyclopropane-1-carboxylic acid
CID 65451444
1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43351099
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512742
1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71938400
1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 24705520) is 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid is N#Cc1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HGXMIPPKJVRTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-10-11-4-6-12(7-5-11)13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24705520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).