(2S)-2-azaniumyl-5-methoxy-5-oxopentanoate
Basic information
- CAS
1499-55-4- Standard SMILES
COC(=O)CC[C@H]([NH3+])C(=O)[O-]- InChIKey
ZGEYCCHDTIDZAE-BYPYZUCNSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.06880783
Overview
See also: 5-Methyl hydrogen L-glutamate (preferred).
Names & identifiers
- Preferred name
- (2S)-2-azaniumyl-5-methoxy-5-oxopentanoate
- IUPAC
- (2S)-2-azaniumyl-5-methoxy-5-oxopentanoate
- English name
- L-Glutamic acid 5-methyl ester
- Molecular formula
- C6H11NO4
- Molecular weight
- 161.16
Names & synonyms
H-GLU(OME)-OH(S)-2-aMino-5-Methoxy-5-oxopentanoic acidGlu(Ome)-OHL-Glu(Ome)-OHL-GLUTAMIC ACID GAMMA-METHYL ESTERMethyl LH-L-GLU(ME)-OHDuplicate of B24859utamic acid 5-methyL5-METHYL L-GLUTAMATE
Database identifiers
- CAS
1499-55-4- PubChem CID
- 6998933
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 182 °C · 182 °C (dec.) (lit.)
- alpha
- 13 · 13 º (c=1, H2O 24 ºC)
- Boiling point
- 287.44 °C · 287.44°C (rough estimate)
- Density
- 1.3482 · 1.3482 (rough estimate)
- refractive index
- 29 ° · 29 ° (C=2, 6mol/L HCl)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Water Solubility
- Soluble in water
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 2.18 · 2.18±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- optical activity
- 20 · [α]20/D +29°, c = 2 in 6 M HCl
- BRN
- 1725252 · 1725252
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29224999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Applications
UsesL-Glutamic acid 5-methyl ester is a protected form of L-Glutamic acid (G596960). L-Glutamic acid is a nonessential amino acid that is important to the mammalian central nervous system. L-Glutamic acid is also a neurotransmitter for cone photoreceptors in the human brain and is used as a treatment for patients who have liver disease accompanied by encephalopathy (a condition termed ‘hepatic coma’).
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: L-glutamic acid 5-methyl ester is a glutamic acid 5-methyl ester having L-configuration. It is a L-glutamic acid derivative, a non-proteinogenic L-alpha-amino acid and a glutamic acid 5-methyl ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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