3-(tetradecanoylamino)propanoic acid

C17H33NO3 — CID 3662949

IUPAC3-(tetradecanoylamino)propanoic acid
SMILESCCCCCCCCCCCCCC(=O)NCCC(=O)O
InChIInChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)18-15-14-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)
InChIKeyOMENDIULIHMDHU-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.28
Rot. Bonds15

About 3-(tetradecanoylamino)propanoic acid

3-(tetradecanoylamino)propanoic acid (PubChem CID 3662949) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-(tetradecanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(tetradecanoylamino)propanoic acid
PubChem CID3662949
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name3-(tetradecanoylamino)propanoic acid
SMILESCCCCCCCCCCCCCC(=O)NCCC(=O)O
InChIInChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)18-15-14-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)
InChIKeyOMENDIULIHMDHU-UHFFFAOYSA-N
XLogP4.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(docosanoylamino)propanoic acid
CID 45357432
3-(dodecanoylamino)propanoic acid;zinc
CID 87141829
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
4-(tridecanoylamino)butanoic acid
CID 164851630
11-(dodecanoylamino)undecanoic acid
CID 4163254
3-[[(9E,11E)-octadeca-9,11-dienoyl]amino]propanoic acid
CID 163200172
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-pentylicosanamide
CID 139961886
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of 3-(tetradecanoylamino)propanoic acid?
The IUPAC name of 3-(tetradecanoylamino)propanoic acid (CID 3662949) is 3-(tetradecanoylamino)propanoic acid.
What is the SMILES notation for 3-(tetradecanoylamino)propanoic acid?
The canonical SMILES for 3-(tetradecanoylamino)propanoic acid is CCCCCCCCCCCCCC(=O)NCCC(=O)O.
What is the InChIKey of 3-(tetradecanoylamino)propanoic acid?
The InChIKey is OMENDIULIHMDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)18-15-14-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(tetradecanoylamino)propanoic acid?
3-(tetradecanoylamino)propanoic acid has a molecular weight of 299.46 g/mol, XLogP of 4.28, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetradecanoylamino)propanoic acid is sourced from PubChem (CID 3662949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).