Basic information
- CAS
959571-65-4- Standard SMILES
C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)OC(C)(C)C- InChIKey
NZZLOAJFJXIMGK-QMMMGPOBSA-N- Molecular formula
- C12H20N2O5
- Average molar mass
- 272.3 g/mol
Names & identifiers
- Preferred name
- (3S)-4-Boc-1-carboxymethyl-3-methyl-piperazin-2-one
- IUPAC
- 2-[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
- English name
- (3S)-4-Boc-1-carboxymethyl-3-methyl-piperazin-2-one
- Molecular formula
- C12H20N2O5
- Molecular weight
- 272.3
Names & synonyms
959571-65-4(3S)-4-BOC-1-CARBOXYMETHYL-3-METHYL-PIPERAZIN-2-ONEMFCD06656456(S)-2-(4-(TERT-BUTOXYCARBONYL)-3-METHYL-2-OXOPIPERAZIN-1-YL)ACETIC ACID2-[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid2-[(3S)-4-[(tert-butoxy)carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acidDB-362072G84596F4937602-[(3S)-4-tert-butoxycarbonyl-3-methyl-2-oxo-piperazin-1-yl]acetic acid(S)-2-(4-(TERT-BUTOXYCARBONYL)-3-METHYL-2-OXOPIPERAZIN-1-YL)ACETICACID1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-3-methyl-2-oxo-, (3S)-
Database identifiers
- CAS
959571-65-4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 456.3 · 456.3±40.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 3.66 · 3.66±0.10(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
Chemistry & industry
Suppliers1 total
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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