Basic information
- Standard SMILES
COc1cc(OC)cc(C(N)C(=O)O)c1- InChIKey
PUDUIVFPKSOBOR-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Names & identifiers
- Preferred name
- 2-amino-2-(3,5-dimethoxyphenyl)acetic Acid
- IUPAC
- 2-amino-2-(3,5-dimethoxyphenyl)acetic acid
- English name
- Amino-(3,5-dimethoxy-phenyl)-acetic acid
- Molecular formula
- C10H13NO4
- Molecular weight
- 211.21
Names & synonyms
2-amino-2-(3,5-dimethoxyphenyl)acetic Acid116502-42-2AMINO-(3,5-DIMETHOXY-PHENYL)-ACETIC ACIDa-Amino-3,5-dimethoxybenzeneacetic acidAMINO(3,5-DIMETHOXYPHENYL)ACETIC ACIDSCHEMBL3820173DTXSID10394568MFCD05662741AKOS000212154Amino-(3,5-dimethoxy-phenyl)-aceticacidDB-350994(S)-Amino-(3,5-dimethoxy-phenyl)-acetic acid
Show more names
Zinc04204139Benzeneacetic acid, α-amino-3,5-dimethoxy-
EN300-1870360
Database identifiers
- CAS
116502-42-2- PubChem CID
- 3641063
- DTXSID
DTXSID10394568
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
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Linked notes
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