2-acetamido-6-azaniumylhexanoate

C8H16N2O3 — CID 74684610

IUPAC2-acetamido-6-azaniumylhexanoate
SMILESCC(=O)NC(CCCC[NH3+])C(=O)[O-]
InChIInChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyVEYYWZRYIYDQJM-UHFFFAOYSA-N
MW188.23 g/mol
LogP-2.35
Rot. Bonds6

About 2-acetamido-6-azaniumylhexanoate

2-acetamido-6-azaniumylhexanoate (PubChem CID 74684610) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-acetamido-6-azaniumylhexanoate.

Molecular Properties

Compound Name2-acetamido-6-azaniumylhexanoate
PubChem CID74684610
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-acetamido-6-azaniumylhexanoate
SMILESCC(=O)NC(CCCC[NH3+])C(=O)[O-]
InChIInChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyVEYYWZRYIYDQJM-UHFFFAOYSA-N
XLogP-2.35
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-2.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-acetamido-6-azaniumylhexanoate 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-6-azaniumylhexanoate?
The IUPAC name of 2-acetamido-6-azaniumylhexanoate (CID 74684610) is 2-acetamido-6-azaniumylhexanoate.
What is the SMILES notation for 2-acetamido-6-azaniumylhexanoate?
The canonical SMILES for 2-acetamido-6-azaniumylhexanoate is CC(=O)NC(CCCC[NH3+])C(=O)[O-].
What is the InChIKey of 2-acetamido-6-azaniumylhexanoate?
The InChIKey is VEYYWZRYIYDQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-acetamido-6-azaniumylhexanoate?
2-acetamido-6-azaniumylhexanoate has a molecular weight of 188.23 g/mol, XLogP of -2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-azaniumylhexanoate is sourced from PubChem (CID 74684610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).