1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid

C14H26N2O3 — CID 76897664

IUPAC1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)C(N)C(C)(C)C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-9-6-5-7-14(8-9,12(18)19)16-11(17)10(15)13(2,3)4/h9-10H,5-8,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyPGGYNFJMHIXICO-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds3

About 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 76897664) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID76897664
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)C(N)C(C)(C)C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-9-6-5-7-14(8-9,12(18)19)16-11(17)10(15)13(2,3)4/h9-10H,5-8,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyPGGYNFJMHIXICO-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 76897664) is 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)C(N)C(C)(C)C)(C(=O)O)C1.
What is the InChIKey of 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is PGGYNFJMHIXICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9-6-5-7-14(8-9,12(18)19)16-11(17)10(15)13(2,3)4/h9-10H,5-8,15H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 76897664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).