6-(2,4-dimethylpent-4-enoylamino)hexanoic acid

C13H23NO3 — CID 120686932

IUPAC6-(2,4-dimethylpent-4-enoylamino)hexanoic acid
SMILESC=C(C)CC(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H23NO3/c1-10(2)9-11(3)13(17)14-8-6-4-5-7-12(15)16/h11H,1,4-9H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyXPPCJPDRQBCMNI-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.35
Rot. Bonds9

About 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid

6-(2,4-dimethylpent-4-enoylamino)hexanoic acid (PubChem CID 120686932) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(2,4-dimethylpent-4-enoylamino)hexanoic acid
PubChem CID120686932
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name6-(2,4-dimethylpent-4-enoylamino)hexanoic acid
SMILESC=C(C)CC(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H23NO3/c1-10(2)9-11(3)13(17)14-8-6-4-5-7-12(15)16/h11H,1,4-9H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyXPPCJPDRQBCMNI-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(2,4-dimethylpent-4-enoylamino)hexanoic 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 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid?
The IUPAC name of 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid (CID 120686932) is 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid.
What is the SMILES notation for 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid?
The canonical SMILES for 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid is C=C(C)CC(C)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid?
The InChIKey is XPPCJPDRQBCMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)9-11(3)13(17)14-8-6-4-5-7-12(15)16/h11H,1,4-9H2,2-3H3,(H,14,17)(H,15,16).
What are the key properties of 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid?
6-(2,4-dimethylpent-4-enoylamino)hexanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpent-4-enoylamino)hexanoic acid is sourced from PubChem (CID 120686932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).