Basic information
- CAS
79487-89-1- Standard SMILES
CC(C)OC(=O)[C@@H](C)N- InChIKey
QDQVXVRZVCTVHE-RXMQYKEDSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
Names & identifiers
- Preferred name
- propan-2-yl (2R)-2-aminopropanoate
- IUPAC
- propan-2-yl (2R)-2-aminopropanoate
- English name
- D-Alanine, 1-methylethyl ester (9CI)
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
D-Alanine isopropyl esterpropan-2-yl (2R)-2-aminopropanoate79487-89-1(R)-Isopropyl 2-aminopropanoateD-Alanine, 1-methylethyl esterTenofovir Impurity 21O-Isopropyl-D-alanineD-Alanine 2-propyl esterN2KXA6BH8MSCHEMBL4269578AKOS017426787DB-275657
Show more names
isopropyl ester of alanineTenofovir Related Compound 7D-Alanine, 1-methylethyl ester (9CI)
CS-0530306EN300-148172
Database identifiers
- CAS
79487-89-1- PubChem CID
- 11804792
- UNII
- N2KXA6BH8M
- Nikkaji
- J514.091I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 145.7 · 145.7±13.0 °C(Predicted)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- pka
- 8.11 · 8.11±0.29(Predicted)
Chemistry & industry
Applications
UsesD-Alanine Isopropyl Ester is a reagent for the preparation of peptides and other penicillin G precursors. A reagent for the preparation of L-Asp-D-Ala-OiPr as a sweetener.
Suppliers5 total
成都傲飞生物化学品有限责任公司+86-028-60911900 13540204019 · [email protected]
BOC Sciences16314854226 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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