6-amino-2-(nonanoylamino)hexanoic acid

C15H30N2O3 — CID 22722100

IUPAC6-amino-2-(nonanoylamino)hexanoic acid
SMILESCCCCCCCCC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-2-3-4-5-6-7-11-14(18)17-13(15(19)20)10-8-9-12-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyKPHBQFLTOHTDJQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.44
Rot. Bonds13

About 6-amino-2-(nonanoylamino)hexanoic acid

6-amino-2-(nonanoylamino)hexanoic acid (PubChem CID 22722100) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-amino-2-(nonanoylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(nonanoylamino)hexanoic acid
PubChem CID22722100
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name6-amino-2-(nonanoylamino)hexanoic acid
SMILESCCCCCCCCC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-2-3-4-5-6-7-11-14(18)17-13(15(19)20)10-8-9-12-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyKPHBQFLTOHTDJQ-UHFFFAOYSA-N
XLogP2.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-2-(nonanoylamino)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

Related Compounds

(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362
(2S)-6-amino-2-[[(E)-octadec-9-enoyl]amino]hexanoic acid
CID 87767836
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid
CID 24967835
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-2-(octadecanoylamino)-3-sulfanylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 175795913
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(nonanoylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(nonanoylamino)hexanoic acid (CID 22722100) is 6-amino-2-(nonanoylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(nonanoylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(nonanoylamino)hexanoic acid is CCCCCCCCC(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(nonanoylamino)hexanoic acid?
The InChIKey is KPHBQFLTOHTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-2-3-4-5-6-7-11-14(18)17-13(15(19)20)10-8-9-12-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-amino-2-(nonanoylamino)hexanoic acid?
6-amino-2-(nonanoylamino)hexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.44, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(nonanoylamino)hexanoic acid is sourced from PubChem (CID 22722100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).