3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid

C15H28N2O3 — CID 61010939

IUPAC3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H28N2O3/c1-4-17(10-9-15(19)20)11-14(18)16(3)13-7-5-12(2)6-8-13/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyUEQJBTRCKXHMGZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.82
Rot. Bonds7

About 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid

3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 61010939) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID61010939
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H28N2O3/c1-4-17(10-9-15(19)20)11-14(18)16(3)13-7-5-12(2)6-8-13/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyUEQJBTRCKXHMGZ-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]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-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid (CID 61010939) is 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid is CCN(CCC(=O)O)CC(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is UEQJBTRCKXHMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-17(10-9-15(19)20)11-14(18)16(3)13-7-5-12(2)6-8-13/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 61010939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).