2-[acetyl(methyl)amino]hexanoic acid

C9H17NO3 — CID 23279428

IUPAC2-[acetyl(methyl)amino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C)C(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-6-8(9(12)13)10(3)7(2)11/h8H,4-6H2,1-3H3,(H,12,13)
InChIKeyXGZIPZJTKLVVFU-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.11
Rot. Bonds5

About 2-[acetyl(methyl)amino]hexanoic acid

2-[acetyl(methyl)amino]hexanoic acid (PubChem CID 23279428) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]hexanoic acid
PubChem CID23279428
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[acetyl(methyl)amino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C)C(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-6-8(9(12)13)10(3)7(2)11/h8H,4-6H2,1-3H3,(H,12,13)
InChIKeyXGZIPZJTKLVVFU-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(methyl)amino]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 2-[acetyl(methyl)amino]hexanoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]hexanoic acid (CID 23279428) is 2-[acetyl(methyl)amino]hexanoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]hexanoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]hexanoic acid is CCCCC(C(=O)O)N(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]hexanoic acid?
The InChIKey is XGZIPZJTKLVVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-6-8(9(12)13)10(3)7(2)11/h8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[acetyl(methyl)amino]hexanoic acid?
2-[acetyl(methyl)amino]hexanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]hexanoic acid is sourced from PubChem (CID 23279428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).