Basic information
- CAS
2177-62-0- Standard SMILES
COC(=O)C[C@H](N)C(=O)O- InChIKey
SBRYFUVVWOMLLP-VKHMYHEASA-N- Molecular formula
- C5H9NO4
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.05315777
Overview
RN given refers to L-isomer
Names & identifiers
- Preferred name
- Aspartic acid beta-methyl ester
- IUPAC
- (2S)-2-amino-4-methoxy-4-oxobutanoic acid
- English name
- 4-Methyl hydrogen L-aspartate
- Molecular formula
- C5H9NO4
- Molecular weight
- 147.13
Names & synonyms
2177-62-0Aspartic acid 4-methyl esteraspartic acid beta-methyl esterDTXSID501309375RefChem:114687DTXCID501739255218-540-2H-Asp(OMe)-OH4-Methyl hydrogen L-aspartate(2S)-2-amino-4-methoxy-4-oxobutanoic acid(S)-2-Amino-4-methoxy-4-oxobutanoic acid(2S)-2-Amino-4-methoxy-4-oxo-butanoic acid
Show more names
β-Methyl Aspartateβ-methyl L-aspartate3-(Methoxycarbonyl)alanineL-ASPARTIC-BETA-METHYL ESTERL-Aspartic Acid-Methyl EsterL-ASPARTIC ACID-4-METHYLESTER-Methyl hydrogen L-aspartate
L-Aspartic acid,4-methyl esterMFCD00055775L-ASPARTIC ACID 4-METHYL ESTEREINECS 218-540-2l-Aspartic acid, .beta.-methyl esterAKOS015949321NSC 118508SCHEMBL151676
Database identifiers
- CAS
2177-62-0- PubChem CID
- 97368
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 193 · 193-195 °C
- Boiling point
- 301.7 · 301.7±37.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 2.16 · 2.16±0.23(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- CAS DataBase Reference
- 2177 · 2177-62-0(CAS DataBase Reference)
Chemistry & industry
Applications
Usesβ-Methyl Aspartate is a useful chemical reagent for the preparation of other amino acid derivatives. It is also reported to be fully compatible with enzymic tRNA acylation and subsequent ribosomal synthesis of modified peptides.
Suppliers60 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
上海瀚鸿科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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