Basic information
- Standard SMILES
COC(=O)CC(Nc1ccc(C)s1)C(C)=O- InChIKey
DJFGOJXFJMRGBQ-UHFFFAOYSA-N- Molecular formula
- C11H15NO3S
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.07726451
Names & identifiers
- Preferred name
- Methyl 3-(5-methyl-2-thienylamino)-4-oxopentanoate
- IUPAC
- methyl 3-[(5-methylthiophen-2-yl)amino]-4-oxopentanoate
Names & synonyms
SCHEMBL7914444DJFGOJXFJMRGBQ-UHFFFAOYSA-NMethyl 3-(5-methyl-2-thienylamino)-4-oxopentanoate
Database identifiers
- PubChem CID
- 21700463
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
1 records
Compound notes
Loading…