3-(Tert-butyldimethylsilyloxy)-5-(1-methylamino)-5-oxopentanoic acid

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Basic information

CAS: 1076199-66-0
Standard SMILES: CNC(=O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIKey: PIWZJBMLFTWCNM-UHFFFAOYSA-N
Molecular formula: C12H25NO4Si
Average molar mass: 275.42 g/mol
Monoisotopic mass: 275.15528481

Names & identifiers

Preferred name: 3-(Tert-butyldimethylsilyloxy)-5-(1-methylamino)-5-oxopentanoic acid
IUPAC: 3-[tert-butyl(dimethyl)silyl]oxy-5-(methylamino)-5-oxopentanoic acid
English name: 3-[(1,1-Dimethylethyl)dimethylsilyloxy]-5-(1-methylamino)-5-oxopentanoic Acid
Molecular formula: C12H25NO4Si
Molecular weight: 275.42

Names & synonyms

1076199-66-03-(TERT-BUTYLDIMETHYLSILYLOXY)-5-(1-METHYLAMINO)-5-OXOPENTANOIC ACID3-[tert-butyl(dimethyl)silyl]oxy-5-(methylamino)-5-oxopentanoic acid3-[(1,1-Dimethylethyl)dimethylsilyloxy]-5-(1-methylamino)-5-oxopentanoic AcidDTXSID90675741AKOS0302545283-{[tert-Butyl(dimethyl)silyl]oxy}-5-(methylamino)-5-oxopentanoic acid3-{[tert-Butyldi(methyl)silyl]oxy}-5-(methylamino)-5-oxopentanoic acidPentanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-(methylamino)-5-oxo-

Database identifiers

CAS: 1076199-66-0
PubChem CID: 46780943
DTXSID: DTXSID90675741

Properties

Computed structural properties

Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 310

Physicochemical properties

Boiling point: 404.5 · 404.5±40.0 °C(Predicted)
Density: 1.021 · 1.021±0.06 g/cm3(Predicted)
solubility: Chloroform, Methanol
form: Solid
pka: 4.09 · 4.09±0.10(Predicted)
color: Off-White

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