1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid

C15H25NO3 — CID 61293575

IUPAC1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-11-7-5-6-10-15(11,14(18)19)16-13(17)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyLVCFSQGNGAZYQX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds3

About 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid

1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61293575) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
PubChem CID61293575
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-11-7-5-6-10-15(11,14(18)19)16-13(17)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyLVCFSQGNGAZYQX-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-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

1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294502
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 55047892
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
CID 61293760
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
2-methyl-1-(2-methylsulfonylpropanoylamino)cyclohexane-1-carboxylic acid
CID 104517539
1-[(4-iodobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294307
1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61293759
1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 115000314

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid (CID 61293575) is 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is LVCFSQGNGAZYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-7-5-6-10-15(11,14(18)19)16-13(17)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid?
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61293575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).