methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate

C15H31NO5Si — CID 46939904

IUPACmethyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate
SMILESCOC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)ONC(=O)C(C)(C)C
InChIInChI=1S/C15H31NO5Si/c1-14(2,3)13(18)16-21-11(12(17)19-7)10-20-22(8,9)15(4,5)6/h11H,10H2,1-9H3,(H,16,18)/t11-/m1/s1
InChIKeyFPGLHVSPGFYKOY-LLVKDONJSA-N
MW333.50 g/mol
LogP2.64
Rot. Bonds6

About methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate

methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate (PubChem CID 46939904) has the molecular formula C15H31NO5Si and a molecular weight of 333.50 g/mol. Its IUPAC name is methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate
PubChem CID46939904
Molecular FormulaC15H31NO5Si
Molecular Weight333.50 g/mol
Exact Mass333.20
IUPAC Namemethyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate
SMILESCOC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)ONC(=O)C(C)(C)C
InChIInChI=1S/C15H31NO5Si/c1-14(2,3)13(18)16-21-11(12(17)19-7)10-20-22(8,9)15(4,5)6/h11H,10H2,1-9H3,(H,16,18)/t11-/m1/s1
InChIKeyFPGLHVSPGFYKOY-LLVKDONJSA-N
XLogP2.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.64
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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Related Compounds

methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 134934318
5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
CID 121003661
methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
CID 170908001
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-methoxypropan-2-yl]oxypropanoate
CID 59279555
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate?
The IUPAC name of methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate (CID 46939904) is methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate.
What is the SMILES notation for methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate?
The canonical SMILES for methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate is COC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)ONC(=O)C(C)(C)C.
What is the InChIKey of methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate?
The InChIKey is FPGLHVSPGFYKOY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H31NO5Si/c1-14(2,3)13(18)16-21-11(12(17)19-7)10-20-22(8,9)15(4,5)6/h11H,10H2,1-9H3,(H,16,18)/t11-/m1/s1.
What are the key properties of methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate?
methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate has a molecular weight of 333.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate is sourced from PubChem (CID 46939904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).