2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 64816878

IUPAC2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)N1CCCCCC1
InChIInChI=1S/C14H24N2O3/c17-13(18)11-7-3-4-8-12(11)15-14(19)16-9-5-1-2-6-10-16/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyVRVQQFZJGQQVGL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds2

About 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid

2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 64816878) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID64816878
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)N1CCCCCC1
InChIInChI=1S/C14H24N2O3/c17-13(18)11-7-3-4-8-12(11)15-14(19)16-9-5-1-2-6-10-16/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyVRVQQFZJGQQVGL-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide
CID 79155291
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816386
N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide
CID 79154927
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79161257
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815387
N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide
CID 40530963
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962999

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid (CID 64816878) is 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1NC(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VRVQQFZJGQQVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(18)11-7-3-4-8-12(11)15-14(19)16-9-5-1-2-6-10-16/h11-12H,1-10H2,(H,15,19)(H,17,18).
What are the key properties of 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid?
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).