Basic information
- CAS
3641-49-4- Standard SMILES
N[C@@H](Cc1ccc(O)c(C(=O)O)c1)C(=O)O- InChIKey
AZXBADPWXOWMKQ-ZETCQYMHSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Overview
DL-3-Carboxytyrosine has been reported in Reseda luteola, Lunaria annua, and Caylusea abyssinica with data available.
Names & identifiers
- Preferred name
- 3-(3-Carboxy-4-hydroxyphenyl)alanine
- IUPAC
- 5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxybenzoic acid
- English name
- 5-[(2S)-2-amino-2-carboxy-ethyl]-2-hydroxy-benzoic acid
- Molecular formula
- C10H11NO5
- Molecular weight
- 225.2
Names & synonyms
3-(3-Carboxy-4-hydroxyphenyl)alanine4303-95-1RefChem:9109553-carboxy-L-tyrosine3-carboxytyrosine3641-49-4DL-3-CarboxytyrosineTyrosine, 3-carboxy-, DL-m-Carboxytyrosin5-[(2S)-2-AMINO-2-CARBOXYETHYL]-2-HYDROXYBENZOIC ACIDL-Tyrosine, 3-carboxy-SCHEMBL180154
Show more names
5-(2-amino-2-carboxyethyl)-2-hydroxybenzoic acid5-[(2S)-2-amino-2-carboxy-ethyl]-2-hydroxy-benzoic acid
SCHEMBL30863848SCHEMBL30863849DTXSID70957759AZXBADPWXOWMKQ-ZETCQYMHSA-N
Database identifiers
- CAS
3641-49-4、4303-95-1- PubChem CID
- 199028
- DTXSID
DTXSID70957759- Nikkaji
- J1.321.570G
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 484.836 · 484.836±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.21 · 2.210±0.20(predicted)
Chemistry & industry
Suppliers2 total
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
Related reactions
4 records
Compound notes
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