(2S)-2-acetamido-4-methoxy-4-oxobutanoic acid
Basic information
- CAS
4910-43-4- Standard SMILES
COC(=O)C[C@H](NC(C)=O)C(=O)O- InChIKey
ZDPZXMGPKKVZGD-YFKPBYRVSA-N- Molecular formula
- C7H11NO5
- Average molar mass
- 189.17 g/mol
Names & identifiers
- Preferred name
- (2S)-2-acetamido-4-methoxy-4-oxobutanoic acid
- IUPAC
- (2S)-2-acetamido-4-methoxy-4-oxobutanoic acid
- English name
- (2S)-2-acetamido-4-methoxy-4-oxobutanoic acid
- Molecular formula
- C7H11NO5
- Molecular weight
- 189.17
Names & synonyms
(2S)-2-acetamido-4-methoxy-4-oxobutanoic acid4910-43-4(S)-2-Acetamido-4-methoxy-4-oxobutanoic acidMFCD18326952Ac-Asp(OMe)-OHSCHEMBL3420387AKOS012611286BS-45294CS-0311797L-Aspartic acid, N-acetyl-, 4-methyl esterEN300-99546(2S)-2-acetamido-4-methoxy-4-oxobutanoicacid
Show more names
E82660(2S)-2-acetamido-4-methoxy-4-oxo-butanoic acidF720242Z1123702071(S)-2-Acetamido-4-methoxy-4-oxobutanoic acid - [A91727]
Database identifiers
- CAS
4910-43-4
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Boiling point
- 458.4 · 458.4±40.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.04 · 3.04±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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Related reactions
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Compound notes
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