Basic information
- CAS
88574-09-8- Standard SMILES
CCCCCCCCCC(=O)NCCC(=O)O- InChIKey
UXYLDVKJEPKPBF-UHFFFAOYSA-N- Molecular formula
- C13H25NO3
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.18344366
Names & identifiers
- Preferred name
- 3-(Decanoylamino)propanoic acid
- IUPAC
- 3-(decanoylamino)propanoic acid
Names & synonyms
N-decanoyl-beta-alanine3-(decanoylamino)propanoic acid88574-09-8N-(1-Oxodecyl)-beta-alanine3NonCONH prop acidAAA4/5SCHEMBL9193102N-(1-Oxodecyl)-I(2)-alanineDTXSID2013133313-(Nonylcarboxylamino)propionic acidSTK366535AKOS005443136
Show more names
DB-088311ST50903274
Database identifiers
- CAS
88574-09-8- PubChem CID
- 454091
- DTXSID
DTXSID201313331- Nikkaji
- J3.170.225I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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