methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate

C10H23NO4Si — CID 173333276

IUPACmethyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)N(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C10H23NO4Si/c1-10(2,3)11(15-16(5)6)8(7-12)9(13)14-4/h8,12,16H,7H2,1-6H3
InChIKeyCXQHQRFIKLCYLD-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.54
Rot. Bonds5

About methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate

methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate (PubChem CID 173333276) has the molecular formula C10H23NO4Si and a molecular weight of 249.38 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate
PubChem CID173333276
Molecular FormulaC10H23NO4Si
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)N(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C10H23NO4Si/c1-10(2,3)11(15-16(5)6)8(7-12)9(13)14-4/h8,12,16H,7H2,1-6H3
InChIKeyCXQHQRFIKLCYLD-UHFFFAOYSA-N
XLogP0.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate (CID 173333276) is methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate is COC(=O)C(CO)N(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate?
The InChIKey is CXQHQRFIKLCYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4Si/c1-10(2,3)11(15-16(5)6)8(7-12)9(13)14-4/h8,12,16H,7H2,1-6H3.
What are the key properties of methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate?
methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate has a molecular weight of 249.38 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethylsilyloxy)amino]-3-hydroxypropanoate is sourced from PubChem (CID 173333276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).