Basic information
- CAS
100508-79-0- Standard SMILES
CCC(=O)NC(C(=O)OC)c1ccccc1- InChIKey
MAIMZQHDTYYKFY-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- Methyl alpha-[(1-oxopropyl)amino]benzeneacetate
- IUPAC
- methyl 2-phenyl-2-(propanoylamino)acetate
Names & synonyms
100508-79-0Methyl alpha-((1-oxopropyl)amino)benzeneacetateMethyl alpha-[(1-oxopropyl)amino]benzeneacetateRefChem:356521SCHEMBL8999165Methyl phenyl(propanamido)acetateMAIMZQHDTYYKFY-UHFFFAOYSA-NDTXSID301264383AKOS011390887Methyl phenyl(propionylamino)acetate #Methyl I+/--[(1-oxopropyl)amino]benzeneacetateBenzeneacetic acid, .alpha.-propanamido-, methyl ester
Database identifiers
- CAS
100508-79-0- PubChem CID
- 571817
- DTXSID
DTXSID301264383
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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