Basic information
- CAS
1520269-39-9- Standard SMILES
COC(=O)C(N)c1ccc(OC(C)(C)C)cc1- InChIKey
HKOCBGCNPVEYCO-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- Dem8ysw8P4
- IUPAC
- methyl 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate
Names & synonyms
DEM8YSW8P4Methyl 2-amino-2-[4-(tert-butoxy)phenyl]acetateMethyl alpha-amino-4-(1,1-dimethylethoxy)benzeneacetateMethyl 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetateBenzeneacetic acid, alpha-amino-4-(1,1-dimethylethoxy)-, methyl ester1520269-39-9
Database identifiers
- CAS
1520269-39-9- PubChem CID
- 83809063
- UNII
- DEM8YSW8P4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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