3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H18N2O3 — CID 63043138

IUPAC3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNc1cccc(C(=O)NC2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H18N2O3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,16,17)(H,18,19)
InChIKeyNPVXJRKUXPNOBC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.64
Rot. Bonds3

About 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63043138) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63043138
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNc1cccc(C(=O)NC2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H18N2O3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,16,17)(H,18,19)
InChIKeyNPVXJRKUXPNOBC-UHFFFAOYSA-N
XLogP1.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
CID 119889091
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
3-[(3-amino-4-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042958
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 63043138) is 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid is Nc1cccc(C(=O)NC2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NPVXJRKUXPNOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).