Basic information
- CAS
3308-72-3- Standard SMILES
COc1ccc(CC(N)C(=O)O)cc1- InChIKey
GEYBMYRBIABFTA-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Overview
O-methyltyrosine is a tyrosine derivative that is tyrosine in which the hydroxy group at position 4 of the phenyl ring is substituted by a methoxy group. It is a monomethoxybenzene and a tyrosine derivative. It is functionally related to a tyrosine.
Names & identifiers
- Preferred name
- O-Methyltyrosine
- IUPAC
- 2-amino-3-(4-methoxyphenyl)propanoic acid
- English name
- O-methyltyrosine
- Molecular weight
- 0
Names & synonyms
O-Methyltyrosine4-Methoxyphenylalanine3308-72-3DTXSID80873658RefChem:928058DTXCID908816037635-29-2H-DL-TYR(ME)-OH2-amino-3-(4-methoxyphenyl)propanoic acido-methyl-DL-tyrosine4-METHOXY-DL-PHENYLALANINEMFCD00063071
Show more names
DL-Tyrosine, O-Methyl-
DL-4-MethoxyphenylalanineS62T8L8FLUH-4-METHOXY-DL-PHE-OH2-amino-3-(4-methoxyphenyl)propionic acidTyrosine, O-methyl-H-4-Methoxy-D-Phe-OHH-4-METHOXY-PHE-OHNSC 101132
Database identifiers
- CAS
3308-72-3、6230-11-1、7635-29-2- PubChem CID
- 97118
- DTXSID
DTXSID80873658- ChEBI
CHEBI:192376- UNII
- S62T8L8FLU
- Nikkaji
- J2.373.387K
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- pka
- 1 · pK1:2.21(+1);pK2:9.35(0) (25°C)
Chemistry & industry
Suppliers3 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Additional notes
DefinitionChEBI: O-methyltyrosine is a tyrosine derivative that is tyrosine in which the hydroxy group at position 4 of the phenyl ring is substituted by a methoxy group. It is a tyrosine derivative and a monomethoxybenzene. It is functionally related to a tyrosine.
Related reactions
3 records
Compound notes
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