3-(cyclohexanecarbonylamino)butanoic acid

C11H19NO3 — CID 43092437

IUPAC3-(cyclohexanecarbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(7-10(13)14)12-11(15)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyRDQVGLDLIKZCOJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds4

About 3-(cyclohexanecarbonylamino)butanoic acid

3-(cyclohexanecarbonylamino)butanoic acid (PubChem CID 43092437) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)butanoic acid
PubChem CID43092437
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(cyclohexanecarbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(7-10(13)14)12-11(15)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyRDQVGLDLIKZCOJ-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 3-(cyclohexanecarbonylamino)butanoic 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-(cyclohexanecarbonylamino)butanoic acid?
The IUPAC name of 3-(cyclohexanecarbonylamino)butanoic acid (CID 43092437) is 3-(cyclohexanecarbonylamino)butanoic acid.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)butanoic acid?
The canonical SMILES for 3-(cyclohexanecarbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)C1CCCCC1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)butanoic acid?
The InChIKey is RDQVGLDLIKZCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(7-10(13)14)12-11(15)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-(cyclohexanecarbonylamino)butanoic acid?
3-(cyclohexanecarbonylamino)butanoic 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 3-(cyclohexanecarbonylamino)butanoic acid is sourced from PubChem (CID 43092437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).