2-(dodecylamino)hexanoic acid

C18H37NO2 — CID 139637216

IUPAC2-(dodecylamino)hexanoic acid
SMILESCCCCCCCCCCCCNC(CCCC)C(=O)O
InChIInChI=1S/C18H37NO2/c1-3-5-7-8-9-10-11-12-13-14-16-19-17(18(20)21)15-6-4-2/h17,19H,3-16H2,1-2H3,(H,20,21)
InChIKeyFLBBUBBHMRUITQ-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.14
Rot. Bonds16

About 2-(dodecylamino)hexanoic acid

2-(dodecylamino)hexanoic acid (PubChem CID 139637216) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-(dodecylamino)hexanoic acid.

Molecular Properties

Compound Name2-(dodecylamino)hexanoic acid
PubChem CID139637216
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-(dodecylamino)hexanoic acid
SMILESCCCCCCCCCCCCNC(CCCC)C(=O)O
InChIInChI=1S/C18H37NO2/c1-3-5-7-8-9-10-11-12-13-14-16-19-17(18(20)21)15-6-4-2/h17,19H,3-16H2,1-2H3,(H,20,21)
InChIKeyFLBBUBBHMRUITQ-UHFFFAOYSA-N
XLogP5.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dodecylamino)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

2-(pentylamino)octanoic acid
CID 129188286
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(6-methylheptylamino)hexanoic acid
CID 150739984
2-(propylamino)tetradecanoic acid
CID 54527307
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
sodium;(2S)-2-(hexadecylamino)pentanedioic acid;hydride
CID 174767967
potassium;hydride;(2R)-2-(tetradecylamino)pentanedioic acid
CID 174683925

Frequently Asked Questions

What is the IUPAC name of 2-(dodecylamino)hexanoic acid?
The IUPAC name of 2-(dodecylamino)hexanoic acid (CID 139637216) is 2-(dodecylamino)hexanoic acid.
What is the SMILES notation for 2-(dodecylamino)hexanoic acid?
The canonical SMILES for 2-(dodecylamino)hexanoic acid is CCCCCCCCCCCCNC(CCCC)C(=O)O.
What is the InChIKey of 2-(dodecylamino)hexanoic acid?
The InChIKey is FLBBUBBHMRUITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-5-7-8-9-10-11-12-13-14-16-19-17(18(20)21)15-6-4-2/h17,19H,3-16H2,1-2H3,(H,20,21).
What are the key properties of 2-(dodecylamino)hexanoic acid?
2-(dodecylamino)hexanoic acid has a molecular weight of 299.50 g/mol, XLogP of 5.14, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylamino)hexanoic acid is sourced from PubChem (CID 139637216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).