Basic information
- Standard SMILES
CC(N)(CCC(=O)O)C(=O)O- InChIKey
QHSCIWIRXWFIGH-UHFFFAOYSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.06880783
Overview
RN given refers to parent cpd without isomeric designation
Names & identifiers
- Preferred name
- 2-Methylglutamic acid
- IUPAC
- 2-amino-2-methylpentanedioic acid
- English name
- DL-2-METHYLGLUTAMIC ACID
- Molecular formula
- C6H11NO4
- Molecular weight
- 161.16
Names & synonyms
2-Methylglutamic acidalpha-Methylglutamatealpha-Methylglutamic acidGlutamic acid, 2-methyl-470-51-9RefChem:910094DL-2-Methylglutamic acid71-90-92-amino-2-methylpentanedioic acidDL-2-Methylglutamic acid hemihydrateDL-Glutamic acid, 2-methyl-2-Methylglutamic acid, DL-
Show more names
DL-2-Me-Glu-OHH-DL-Glu(2-Me)-OHDL-2-Methylglutamic Acid 2-amino-2-methylpentanedioicaciA-methyl-dl-glutamic acid hydrateDL-methylglutamic acid hemihydrateDL-2-METHYLGLUTAMIC ACID USP/EP/BP
2-Methyl-DL-glutamic acida-methylglutamic acidMFCD00004188M2D99THH1B2-Amino-2-methyl-pentanedioic acidNSC-11704NSC-226144UNII-M2D99THH1B
Database identifiers
- CAS
470-51-9、71-90-9- PubChem CID
- 95440
- DTXSID
DTXSID101018948- ChEMBL
CHEMBL39362- UNII
- M2D99THH1B
- EC Number
- 200-768-9
- Nikkaji
- J347.994C
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 160 °C · 160 °C (dec.)(lit.)
- Boiling point
- 329.3 · 329.3±32.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
- InChI
- 1S/C6H11NO4.H2O/c1-6(7,5(10)11)3-2-4(8)9;/h2-3,7H2,1H3,(H,8,9)(H,10,11);1H2
- InChIKey
- UAHXIVOASZLFEG-UHFFFAOYSA-N
- SMILES
- O.CC(N)(CCC(O)=O)C(O)=O
- FDA UNII
- 2 D99THH1B · M2D99THH1B
- EPA Substance Registry System
- 2 · Glutamic acid, 2-methyl- (71-90-9)
- UNSPSC Code
- 12352100 · 12352100
- WGK Germany
- 3 · 3
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
Safety data
- wgk
- 3
- Storage Class
- 13 - Non Combustible Solids
Chemistry & industry
Applications
UsesDL-2-Methylglutamic acid hemihydrate may be used in chemical synthesis studies.
Upstream & downstream products
Upstream raw materials
Related reactions
13 records
Linked notes
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