2-acetamido-3-cyclohexylpropanoic acid

C11H19NO3 — CID 10965857

IUPAC2-acetamido-3-cyclohexylpropanoic acid
SMILESCC(=O)NC(CC1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyOJKBSULSXRPKEH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds4

About 2-acetamido-3-cyclohexylpropanoic acid

2-acetamido-3-cyclohexylpropanoic acid (PubChem CID 10965857) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-acetamido-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name2-acetamido-3-cyclohexylpropanoic acid
PubChem CID10965857
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-acetamido-3-cyclohexylpropanoic acid
SMILESCC(=O)NC(CC1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyOJKBSULSXRPKEH-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-acetamido-3-cyclohexylpropanoic 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-cyclohexylpropanoic acid?
The IUPAC name of 2-acetamido-3-cyclohexylpropanoic acid (CID 10965857) is 2-acetamido-3-cyclohexylpropanoic acid.
What is the SMILES notation for 2-acetamido-3-cyclohexylpropanoic acid?
The canonical SMILES for 2-acetamido-3-cyclohexylpropanoic acid is CC(=O)NC(CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-acetamido-3-cyclohexylpropanoic acid?
The InChIKey is OJKBSULSXRPKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-3-cyclohexylpropanoic acid?
2-acetamido-3-cyclohexylpropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-cyclohexylpropanoic acid is sourced from PubChem (CID 10965857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).