2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 83214162

IUPAC2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)C1CCCCC1N
InChIInChI=1S/C15H26N2O3/c1-15(14(19)20)9-5-4-8-12(15)17-13(18)10-6-2-3-7-11(10)16/h10-12H,2-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyDQAKCGULYFPLBV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.65
Rot. Bonds3

About 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid

2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83214162) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83214162
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)C1CCCCC1N
InChIInChI=1S/C15H26N2O3/c1-15(14(19)20)9-5-4-8-12(15)17-13(18)10-6-2-3-7-11(10)16/h10-12H,2-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyDQAKCGULYFPLBV-UHFFFAOYSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-aminocyclohexanecarbonyl)amino]-1-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

2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
1-methyl-2-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214275
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-amino-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexane-1-carboxamide
CID 79362862
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762408
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214389
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid (CID 83214162) is 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)C1CCCCC1N.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is DQAKCGULYFPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(14(19)20)9-5-4-8-12(15)17-13(18)10-6-2-3-7-11(10)16/h10-12H,2-9,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid?
2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83214162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).