3-(dodecanoylamino)propanoic acid

C15H29NO3 — CID 3262167

IUPAC3-(dodecanoylamino)propanoic acid
SMILESCCCCCCCCCCCC(=O)NCCC(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
InChIKeyILKFYYOGOCVZRU-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.50
Rot. Bonds13

About 3-(dodecanoylamino)propanoic acid

3-(dodecanoylamino)propanoic acid (PubChem CID 3262167) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-(dodecanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(dodecanoylamino)propanoic acid
PubChem CID3262167
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3-(dodecanoylamino)propanoic acid
SMILESCCCCCCCCCCCC(=O)NCCC(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
InChIKeyILKFYYOGOCVZRU-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 3-(dodecanoylamino)propanoic acid?
The IUPAC name of 3-(dodecanoylamino)propanoic acid (CID 3262167) is 3-(dodecanoylamino)propanoic acid.
What is the SMILES notation for 3-(dodecanoylamino)propanoic acid?
The canonical SMILES for 3-(dodecanoylamino)propanoic acid is CCCCCCCCCCCC(=O)NCCC(=O)O.
What is the InChIKey of 3-(dodecanoylamino)propanoic acid?
The InChIKey is ILKFYYOGOCVZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(dodecanoylamino)propanoic acid?
3-(dodecanoylamino)propanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.50, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecanoylamino)propanoic acid is sourced from PubChem (CID 3262167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).