N-Tiglylglycine methyl ester
Basic information
- CAS
55649-53-1- Standard SMILES
C/C=C(\C)C(=O)NCC(=O)OC- InChIKey
IFMXGUOYXDBGDS-GQCTYLIASA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- N-Tiglylglycine methyl ester
- IUPAC
- methyl 2-[[(E)-2-methylbut-2-enoyl]amino]acetate
- English name
- N-[(E)-2-Methyl-1-oxo-2-butenyl]glycine methyl ester
- Molecular formula
- C8H13NO3
- Molecular weight
- 171.19
Names & synonyms
N-Tiglylglycine methyl ester55649-53-1Tiglylglycine, methyl esterGlycine, N-(2-methyl-1-oxo-2-butenyl)-, methyl ester, (E)-DTXSID00418641Glycine, N-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-, methyl esterGlycine, N-((2E)-2-methyl-1-oxo-2-buten-1-yl)-, methyl esterRefChem:365004DTXCID20369489IFMXGUOYXDBGDS-GQCTYLIASA-NTiglyl Glycine Methyl Estermethyl 2-[[(E)-2-methylbut-2-enoyl]amino]acetate
Show more names
N-[(E)-2-Methyl-1-oxo-2-butenyl]glycine methyl esterN-[(2E)-2-Methyl-1-oxo-2-buten-1-yl]glycine Methyl Ester
N-[(2E)-2-Methyl-1-oxo-2-buten-1-yl]glycine Methyl Ester;tiglylglycine methyl esterSCHEMBL2523319Methyl N-[(2E)-2-methylbut-2-enoyl]glycinateMethyl ([(2E)-2-methyl-2-butenoyl]amino)acetate #[(E)-2-methyl-but-2-enoylamino]-acetic acid methyl ester
Database identifiers
- CAS
55649-53-1- PubChem CID
- 5367753
- DTXSID
DTXSID00418641- Nikkaji
- J139.620J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 322.1 · 322.1±34.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- solubility
- Dichloromethane, Water
- pka
- 13.96 · 13.96±0.46(Predicted)
- form
- Oil
- color
- Light Yellow
Chemistry & industry
Applications
UsesProtected Tiglyl Glycine.
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Related reactions
1 records
Compound notes
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