2-(didecylamino)pentanoic acid

C25H51NO2 — CID 101314079

IUPAC2-(didecylamino)pentanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CCC)C(=O)O
InChIInChI=1S/C25H51NO2/c1-4-7-9-11-13-15-17-19-22-26(24(21-6-3)25(27)28)23-20-18-16-14-12-10-8-5-2/h24H,4-23H2,1-3H3,(H,27,28)
InChIKeyUNOILEHPUCFJDZ-UHFFFAOYSA-N
MW397.69 g/mol
LogP7.82
Rot. Bonds22

About 2-(didecylamino)pentanoic acid

2-(didecylamino)pentanoic acid (PubChem CID 101314079) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is 2-(didecylamino)pentanoic acid.

Molecular Properties

Compound Name2-(didecylamino)pentanoic acid
PubChem CID101314079
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC Name2-(didecylamino)pentanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CCC)C(=O)O
InChIInChI=1S/C25H51NO2/c1-4-7-9-11-13-15-17-19-22-26(24(21-6-3)25(27)28)23-20-18-16-14-12-10-8-5-2/h24H,4-23H2,1-3H3,(H,27,28)
InChIKeyUNOILEHPUCFJDZ-UHFFFAOYSA-N
XLogP7.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(didecylamino)pentanoic 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-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-[2-carboxyethyl(hexyl)amino]pentanoic acid
CID 82328380
(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889
2-(dihexylamino)-3-hydroxypropanoic acid
CID 175360727
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
2-(dipentylamino)-5-oxopentanoic acid
CID 19977200
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
potassium 2-(dioctadecylamino)pentanoate
CID 101314241
calcium bis(2-(dioctadecylamino)pentanoate)
CID 101314243
sodium 2-[di(icosyl)amino]pentanoate
CID 101314282
lithium 2-[di(tricosyl)amino]pentanoate
CID 101314340

Frequently Asked Questions

What is the IUPAC name of 2-(didecylamino)pentanoic acid?
The IUPAC name of 2-(didecylamino)pentanoic acid (CID 101314079) is 2-(didecylamino)pentanoic acid.
What is the SMILES notation for 2-(didecylamino)pentanoic acid?
The canonical SMILES for 2-(didecylamino)pentanoic acid is CCCCCCCCCCN(CCCCCCCCCC)C(CCC)C(=O)O.
What is the InChIKey of 2-(didecylamino)pentanoic acid?
The InChIKey is UNOILEHPUCFJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO2/c1-4-7-9-11-13-15-17-19-22-26(24(21-6-3)25(27)28)23-20-18-16-14-12-10-8-5-2/h24H,4-23H2,1-3H3,(H,27,28).
What are the key properties of 2-(didecylamino)pentanoic acid?
2-(didecylamino)pentanoic acid has a molecular weight of 397.69 g/mol, XLogP of 7.82, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(didecylamino)pentanoic acid is sourced from PubChem (CID 101314079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).