2-Amino-2-(4-sulfophenyl)propanoic acid
Basic information
- CAS
169209-64-7- Standard SMILES
CC(N)(C(=O)O)c1ccc(S(=O)(=O)O)cc1- InChIKey
MVDSFPIEJILRME-UHFFFAOYSA-N- Molecular formula
- C9H11NO5S
- Average molar mass
- 245.25 g/mol
- Monoisotopic mass
- 245.03579362
Names & identifiers
- Preferred name
- 2-Amino-2-(4-sulfophenyl)propanoic acid
- IUPAC
- 2-amino-2-(4-sulfophenyl)propanoic acid
- English name
- (+/-)-alpha-Methyl-(4-sulfonophenyl)glycine
- Molecular formula
- C9H11NO5S
- Molecular weight
- 245.25
Names & synonyms
MSPG169209-64-72-amino-2-(4-sulfophenyl)propanoic acid(+/-)-alpha-Methyl-(4-sulfonophenyl)glycine( inverted exclamation markA)-|A-Methyl-(4-sulfonophenyl)glycinealpha-Amino-alpha-methyl-4-sulfobenzeneacetic acidorb1704331CHEMBL1553860SCHEMBL12648710BDBM85015DTXSID70398269EX-A14693
Show more names
(RS)-MSPG(RS)-α-Methyl-4-sulfonophenylglycine(±)-α-Methyl-(4-sulfonophenyl)glycine(±)-α-methyl-(4-sulfonophenyl)glycine(R,S)-a-Methyl-4-sulfonophenylglycine(+-)-A-methyl-(4-sulfonophenyl)glycine(RS)-ALPHA-METHYL-4-SULFONOPHENYLGLYCINE(RS)-ALPHA-METHYL-4-SULPHONOPHENYLGLYCINE
AKOS024458669CAS_3964410NSC_3964410NCGC00024827-02MS-33045DB-017870HY-101242CS-0021030
Database identifiers
- CAS
169209-64-7- PubChem CID
- 3964410
- DTXSID
DTXSID70398269- ChEMBL
CHEMBL1553860- Nikkaji
- J680.591D
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 100 mM · Soluble to 100 mM in 1eq. NaOH
- form
- White solid.
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Uses(RS)-MSPG Sodium Salt is a salt analog of (RS)-MSPG (CAS# 169209-64-7), which is an antagonist of presynaptic mGluRs.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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