Basic information
- CAS
21911-85-3- Standard SMILES
COC(=O)CCNc1ccc(C)cc1- InChIKey
HKLXEDGHOJJTQM-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Methyl 3-[(4-methylphenyl)amino]propanoate
- IUPAC
- methyl 3-(4-methylanilino)propanoate
Names & synonyms
Methyl 3-[(4-methylphenyl)amino]propanoate21911-85-3methyl 3-(4-methylanilino)propanoateSCHEMBL13948407DTXSID901271845AKOS005209168Methyl N-(4-methylphenyl)-beta-alaninateMethyl3-[(4-methylphenyl)amino]propanoateEN300-45263G25609N-(4-Methylphenyl)-I(2)-alanine methyl esterZ53849263
Database identifiers
- CAS
21911-85-3- PubChem CID
- 11636982
- DTXSID
DTXSID901271845- Nikkaji
- J2.288.796C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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