2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid

C12H22N2O3 — CID 64581715

IUPAC2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
SMILESCC(=O)NC(CN(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(15)13-11(12(16)17)8-14(2)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMXNPZJSSTHPZEG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds5

About 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid

2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid (PubChem CID 64581715) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
PubChem CID64581715
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
SMILESCC(=O)NC(CN(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(15)13-11(12(16)17)8-14(2)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMXNPZJSSTHPZEG-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-3-[cyclohexyl(methyl)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 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid (CID 64581715) is 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid is CC(=O)NC(CN(C)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid?
The InChIKey is MXNPZJSSTHPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(15)13-11(12(16)17)8-14(2)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid?
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid is sourced from PubChem (CID 64581715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).