Methyl 3-amino-4-[(tert-butoxy)carbonylamino]butanoate
Basic information
- CAS
1391209-85-0- Standard SMILES
COC(=O)CC(N)CNC(=O)OC(C)(C)C- InChIKey
RFKXQNWLOYKCPI-UHFFFAOYSA-N- Molecular formula
- C10H20N2O4
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.14230712
Names & identifiers
- Preferred name
- Methyl 3-amino-4-[(tert-butoxy)carbonylamino]butanoate
- IUPAC
- methyl 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
- English name
- Butanoic acid, 3-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
- Molecular formula
- C10H20N2O4
- Molecular weight
- 232.28
Names & synonyms
1391209-85-0METHYL 3-AMINO-4-[(TERT-BUTOXY)CARBONYLAMINO]BUTANOATEMFCD22524932methyl 3-amino-4-{[(tert-butoxy)carbonyl]amino}butanoateMETHYL 3-AMINO-4-([(TERT-BUTOXY)CARBONYL]AMINO)BUTANOATESCHEMBL8488284methyl 3-amino-4-((tert-butoxycarbonyl)amino)butanoateF75503EN300-1284296F865412methyl 3-amino-4-(tert-butoxycarbonylamino)butanoateMETHYL3-AMINO-4-[(TERT-BUTOXY)CARBONYLAMINO]BUTANOATE
Show more names
Butanoic acid, 3-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
methyl 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Database identifiers
- CAS
1391209-85-0- PubChem CID
- 54263937
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 351.9 · 351.9±37.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 12.17 · 12.17±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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