(r)-3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid
Basic information
- CAS
713513-03-2- Standard SMILES
COc1ccc([C@H](N)CC(=O)O)cc1OC- InChIKey
FGCXSFRGPCUBPW-MRVPVSSYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- (r)-3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid
- IUPAC
- (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
- English name
- (R)-3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.2411
Names & synonyms
54160-63-3713513-03-2(r)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid(r)-3-amino-3-(3,4-dimethoxy-phenyl)-propionic acid(r)-beta-(3,4-dimethoxyphenyl)alanineMFCD041136513,4-Dimethoxy-D-b-phenylalanine(r)-3-amino-3-(3,4-dimethoxyphenyl)propionic acid((r)-3-amino-3-(3,4-dimethoxy-phenyl)-propionic acid(r)-3-(3,4-dimethoxyphenyl)-beta-alaniner-3-amino-3-(3,4-dimethoxy-phenyl)-propionic acid
Show more names
H-D-b-Phe(3,4-dimethoxy)-OH4-diMethoxyphenyl)-beta-alanineREF DUPL: (R)-beta-(3,4-dimethoxyphenyl)alanineBenzenepropanoic acid, .beta.-amino-3,4-dimethoxy-, (.beta.R)-
orb2695042SCHEMBL5720955DTXSID90349995FGCXSFRGPCUBPW-MRVPVSSYSA-Nh-d-beta-phe(3,4-dimethoxy)-ohh-phg[3,4-(ome)2]-(c*ch2)ohTN8294(R)- -(3,4-Dimethoxyphenyl)alanine
Database identifiers
- CAS
713513-03-2- PubChem CID
- 670404
- DTXSID
DTXSID90349995- Nikkaji
- J2.350.080I
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Chemistry & industry
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