6-acetamidohexanoic acid

C8H15NO3 — CID 2005

💊View drug profile → acexamic acid
IUPAC6-acetamidohexanoic acid
SMILESCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyWDSCBUNMANHPFH-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.77
Rot. Bonds6

About 6-acetamidohexanoic acid

6-acetamidohexanoic acid (PubChem CID 2005) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 6-acetamidohexanoic acid.

Molecular Properties

Compound Name6-acetamidohexanoic acid
PubChem CID2005
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name6-acetamidohexanoic acid
SMILESCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyWDSCBUNMANHPFH-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-acetamidohexanoic 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-acetamidohexanoic acid?
The IUPAC name of 6-acetamidohexanoic acid (CID 2005) is 6-acetamidohexanoic acid.
What is the SMILES notation for 6-acetamidohexanoic acid?
The canonical SMILES for 6-acetamidohexanoic acid is CC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-acetamidohexanoic acid?
The InChIKey is WDSCBUNMANHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 6-acetamidohexanoic acid?
6-acetamidohexanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamidohexanoic acid is sourced from PubChem (CID 2005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).