Methyl 5-hydroxypent-2-enoate
Basic information
- CAS
62592-80-7- Standard SMILES
COC(=O)C=CCCO- InChIKey
AULQDMBDCMKXLS-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- Methyl 5-hydroxypent-2-enoate
- IUPAC
- methyl 5-hydroxypent-2-enoate
- English name
- (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
methyl 5-hydroxypent-2-enoate(E)-5-Hydroxy-2-pentenoic acid methyl esterSCHEMBL16937292DTXSID20313048AKOS030240770DB-09613686462-73-9AULQDMBDCMKXLS-DUXPYHPUSA-NMethyl (E)-5-hydroxypent-2-enoate(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester2-Pentenoic acid, 5-hydroxy-, methyl ester, (2E)-
Database identifiers
- CAS
62592-80-7- PubChem CID
- 319948
- DTXSID
DTXSID20313048
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- Ethyl Acetate, Methanol
- form
- Oil
- color
- Pale Yellow
Chemistry & industry
Applications
Uses(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester is an intermediate in the preparation of unusual amino acids that are potential Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors.
Related reactions
1 records
Compound notes
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