2-[di(tridecyl)amino]pentanoic acid

C31H63NO2 — CID 101314139

IUPAC2-[di(tridecyl)amino]pentanoic acid
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(CCC)C(=O)O
InChIInChI=1S/C31H63NO2/c1-4-7-9-11-13-15-17-19-21-23-25-28-32(30(27-6-3)31(33)34)29-26-24-22-20-18-16-14-12-10-8-5-2/h30H,4-29H2,1-3H3,(H,33,34)
InChIKeyGXSLSKULRXXSRR-UHFFFAOYSA-N
MW481.85 g/mol
LogP10.16
Rot. Bonds28

About 2-[di(tridecyl)amino]pentanoic acid

2-[di(tridecyl)amino]pentanoic acid (PubChem CID 101314139) has the molecular formula C31H63NO2 and a molecular weight of 481.85 g/mol. Its IUPAC name is 2-[di(tridecyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[di(tridecyl)amino]pentanoic acid
PubChem CID101314139
Molecular FormulaC31H63NO2
Molecular Weight481.85 g/mol
Exact Mass481.49
IUPAC Name2-[di(tridecyl)amino]pentanoic acid
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(CCC)C(=O)O
InChIInChI=1S/C31H63NO2/c1-4-7-9-11-13-15-17-19-21-23-25-28-32(30(27-6-3)31(33)34)29-26-24-22-20-18-16-14-12-10-8-5-2/h30H,4-29H2,1-3H3,(H,33,34)
InChIKeyGXSLSKULRXXSRR-UHFFFAOYSA-N
XLogP10.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.85
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[di(tridecyl)amino]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-(didecylamino)pentanoic acid
CID 101314079
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-[di(tridecyl)amino]pentanoic acid?
The IUPAC name of 2-[di(tridecyl)amino]pentanoic acid (CID 101314139) is 2-[di(tridecyl)amino]pentanoic acid.
What is the SMILES notation for 2-[di(tridecyl)amino]pentanoic acid?
The canonical SMILES for 2-[di(tridecyl)amino]pentanoic acid is CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(CCC)C(=O)O.
What is the InChIKey of 2-[di(tridecyl)amino]pentanoic acid?
The InChIKey is GXSLSKULRXXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63NO2/c1-4-7-9-11-13-15-17-19-21-23-25-28-32(30(27-6-3)31(33)34)29-26-24-22-20-18-16-14-12-10-8-5-2/h30H,4-29H2,1-3H3,(H,33,34).
What are the key properties of 2-[di(tridecyl)amino]pentanoic acid?
2-[di(tridecyl)amino]pentanoic acid has a molecular weight of 481.85 g/mol, XLogP of 10.16, 28 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(tridecyl)amino]pentanoic acid is sourced from PubChem (CID 101314139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).