2-(propylamino)tetradecanoic acid

C17H35NO2 — CID 54527307

IUPAC2-(propylamino)tetradecanoic acid
SMILESCCCCCCCCCCCCC(NCCC)C(=O)O
InChIInChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17(19)20)18-15-4-2/h16,18H,3-15H2,1-2H3,(H,19,20)
InChIKeyYUAOWACIUDARDE-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.75
Rot. Bonds15

About 2-(propylamino)tetradecanoic acid

2-(propylamino)tetradecanoic acid (PubChem CID 54527307) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-(propylamino)tetradecanoic acid.

Molecular Properties

Compound Name2-(propylamino)tetradecanoic acid
PubChem CID54527307
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-(propylamino)tetradecanoic acid
SMILESCCCCCCCCCCCCC(NCCC)C(=O)O
InChIInChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17(19)20)18-15-4-2/h16,18H,3-15H2,1-2H3,(H,19,20)
InChIKeyYUAOWACIUDARDE-UHFFFAOYSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(propylamino)tetradecanoic 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-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(pentylamino)octanoic acid
CID 129188286
2-(dodecylamino)hexanoic acid
CID 139637216
(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
2-(2-azidoethylamino)octanoic acid
CID 66190006
2-(propylamino)nonanamide
CID 60796532
2-(propylamino)octanamide
CID 60795649
2-(6-methylheptylamino)hexanoic acid
CID 150739984
methyl 2-(propylamino)octanoate
CID 60795997
4-pentylsulfanyl-2-(propylamino)butanoic acid
CID 107755541

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)tetradecanoic acid?
The IUPAC name of 2-(propylamino)tetradecanoic acid (CID 54527307) is 2-(propylamino)tetradecanoic acid.
What is the SMILES notation for 2-(propylamino)tetradecanoic acid?
The canonical SMILES for 2-(propylamino)tetradecanoic acid is CCCCCCCCCCCCC(NCCC)C(=O)O.
What is the InChIKey of 2-(propylamino)tetradecanoic acid?
The InChIKey is YUAOWACIUDARDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17(19)20)18-15-4-2/h16,18H,3-15H2,1-2H3,(H,19,20).
What are the key properties of 2-(propylamino)tetradecanoic acid?
2-(propylamino)tetradecanoic acid has a molecular weight of 285.47 g/mol, XLogP of 4.75, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)tetradecanoic acid is sourced from PubChem (CID 54527307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).