2-(Acetylamino)tridecanoic acid
Basic information
- CAS
5440-49-3- Standard SMILES
CCCCCCCCCCCC(NC(C)=O)C(=O)O- InChIKey
AFNMDHNYMYZBIO-UHFFFAOYSA-N- Molecular formula
- C15H29NO3
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.21474379
Names & identifiers
- Preferred name
- 2-(Acetylamino)tridecanoic acid
- IUPAC
- 2-acetamidotridecanoic acid
Names & synonyms
2-acetamidotridecanoic acid5440-49-32-(acetylamino)tridecanoic acidNSC20174DTXSID00281115NSC-20174DS-012881
Database identifiers
- CAS
5440-49-3- PubChem CID
- 227952
- DTXSID
DTXSID00281115- Nikkaji
- J995.571B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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