L-Glutamic acid, 5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1)
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Basic information
- CAS
6234-01-1- Standard SMILES
COC(=O)[C@@H](N)CCC(=O)OC(C)(C)C.Cl- InChIKey
YIFPACFSZQWAQF-FJXQXJEOSA-N- Molecular formula
- C10H20ClNO4
- Average molar mass
- 253.72 g/mol
- Monoisotopic mass
- 253.1080858
Names & identifiers
- Preferred name
- L-Glutamic acid, 5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1)
- IUPAC
- 5-O-tert-butyl 1-O-methyl (2S)-2-aminopentanedioate;hydrochloride
- English name
- L-Glutamic acid 5-tert-butyl 1-methyl ester hydrochloride
- Molecular formula
- C10H20ClNO4
- Molecular weight
- 253.72
Names & synonyms
6234-01-15-tert-Butyl 1-methyl L-glutamate hydrochlorideDTXSID80211394RefChem:1088176DTXCID80133885L-Glutamic acid, 5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1)228-348-0H-Glu(OtBu)-OMe.HClL-Glutamic acid 5-tert-butyl 1-methyl ester hydrochlorideH-GLU(OTBU)-OME HCLMFCD00153438H-Glu(OtBu)-OMe hydrochloride
Show more names
H-Glu(Otbu)-OmeclH-Glu(OtBu)-OMe¤HCH-Glu(OtBu)-OMe.HCIH-GLU(OBUT)-OME·HCLH-GLU(OBUT)-OME HCLL-Glu(OtBu)-OMe·HClH-L-Glu(tBu)-OMe*HClGLUTAMIC ACID(OTBU)-OME HCL
5-O-tert-butyl 1-O-methyl (2S)-2-aminopentanedioate;hydrochlorideM031295-(tert-Butyl) 1-methyl L-glutamate hydrochlorideGlu(OtBu)-OMe.HClH-Glu(OtBu)-OMe . HClH-Glu(OtBu)-OMe inverted exclamation mark currencyHCl(S)-5-TERT-BUTYL 1-METHYL 2-AMINOPENTANEDIOATE HCLHGlu(tBu)OMe hydrochloride
Database identifiers
- CAS
6234-01-1- PubChem CID
- 16218751
- DTXSID
DTXSID80211394- UNII
- Y2D6C3KUR3
- EC Number
- 228-348-0
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Slightly), Water
- form
- Solid
- color
- White
- optical activity
- 26.7 ° · 26.7°(C=0.01g/ml MEOH)
- BRN
- 3572140 · 3572140
- Major Application
- peptide synthesis
- InChI
- 1S/C10H19NO4.ClH/c1-10(2,3)15-8(12)6-5-7(11)9(13)14-4;/h7H,5-6,11H2,1-4H3;1H/t7-;/m0./s1
- InChIKey
- YIFPACFSZQWAQF-FJXQXJEOSA-N
- SMILES
- Cl[H].COC(=O)[C@@H](N)CCC(=O)OC(C)(C)C
- CAS DataBase Reference
- 6234 · 6234-01-1(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 4-7-28-35-44
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesL-Glutamic Acid 5-tert-Butyl 1-Methyl Ester Hydrochloride, is a versatile building block in the peptide chemistry. It can be utilized in the synthesis of series of dynamic peptides used as biomimetic carbohydrate receptors.
Upstream & downstream products
Downstream products
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Related reactions
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