3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid

C12H22N2O3 — CID 82326771

IUPAC3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid
SMILESCC1CCCCC1N(CCC(=O)O)CC(N)=O
InChIInChI=1S/C12H22N2O3/c1-9-4-2-3-5-10(9)14(8-11(13)15)7-6-12(16)17/h9-10H,2-8H2,1H3,(H2,13,15)(H,16,17)
InChIKeyZNQQZHYEGQJISB-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds6

About 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid

3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid (PubChem CID 82326771) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid
PubChem CID82326771
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid
SMILESCC1CCCCC1N(CCC(=O)O)CC(N)=O
InChIInChI=1S/C12H22N2O3/c1-9-4-2-3-5-10(9)14(8-11(13)15)7-6-12(16)17/h9-10H,2-8H2,1H3,(H2,13,15)(H,16,17)
InChIKeyZNQQZHYEGQJISB-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic 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 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid (CID 82326771) is 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid is CC1CCCCC1N(CCC(=O)O)CC(N)=O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid?
The InChIKey is ZNQQZHYEGQJISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-4-2-3-5-10(9)14(8-11(13)15)7-6-12(16)17/h9-10H,2-8H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid?
3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 82326771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).