Basic information
- CAS
1016731-82-0- Standard SMILES
CCN(C(=O)CCC(=O)O)c1cccc2ccccc12- InChIKey
ZFSRXMAKZJMYOR-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Names & identifiers
- Preferred name
- 4-(Ethyl-1-naphthalenylamino)-4-oxobutanoic acid
- IUPAC
- 4-[ethyl(naphthalen-1-yl)amino]-4-oxobutanoic acid
Names & synonyms
4-(Ethyl-1-naphthalenylamino)-4-oxobutanoic acidDTXSID401237963AKOS0001525141016731-82-04-[ethyl(naphthalen-1-yl)amino]-4-oxobutanoic acid
Database identifiers
- CAS
1016731-82-0- PubChem CID
- 20114535
- DTXSID
DTXSID401237963
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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