1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C14H26N2O4 — CID 115442622

IUPAC1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCOCCC(N)C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26N2O4/c1-10-3-6-14(7-4-10,13(18)19)9-16-12(17)11(15)5-8-20-2/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGHZHDLOIZRZOAU-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.75
Rot. Bonds7

About 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115442622) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115442622
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCOCCC(N)C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26N2O4/c1-10-3-6-14(7-4-10,13(18)19)9-16-12(17)11(15)5-8-20-2/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGHZHDLOIZRZOAU-UHFFFAOYSA-N
XLogP0.75
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-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-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442596
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442554
1-[[(2-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442601
1-[[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103930383
1-[(4-methoxybutanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440871
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
4-methyl-1-[(propan-2-yloxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441052
1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443019
2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 62476274
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115442622) is 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is COCCC(N)C(=O)NCC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is GHZHDLOIZRZOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10-3-6-14(7-4-10,13(18)19)9-16-12(17)11(15)5-8-20-2/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115442622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).