bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

C19H39NO6Si2 — CID 162728324

IUPACbis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
SMILESCC(C)(C)OC(=O)N[C@@H](CC(=O)OCC[Si](C)(C)C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C19H39NO6Si2/c1-19(2,3)26-18(23)20-15(17(22)25-11-13-28(7,8)9)14-16(21)24-10-12-27(4,5)6/h15H,10-14H2,1-9H3,(H,20,23)/t15-/m0/s1
InChIKeyVWSHHNOJFMNAOM-HNNXBMFYSA-N
MW433.69 g/mol
LogP4.03
Rot. Bonds10

About bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate (PubChem CID 162728324) has the molecular formula C19H39NO6Si2 and a molecular weight of 433.69 g/mol. Its IUPAC name is bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate.

Molecular Properties

Compound Namebis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
PubChem CID162728324
Molecular FormulaC19H39NO6Si2
Molecular Weight433.69 g/mol
Exact Mass433.23
IUPAC Namebis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
SMILESCC(C)(C)OC(=O)N[C@@H](CC(=O)OCC[Si](C)(C)C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C19H39NO6Si2/c1-19(2,3)26-18(23)20-15(17(22)25-11-13-28(7,8)9)14-16(21)24-10-12-27(4,5)6/h15H,10-14H2,1-9H3,(H,20,23)/t15-/m0/s1
InChIKeyVWSHHNOJFMNAOM-HNNXBMFYSA-N
XLogP4.03
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444
1-O-benzyl 6-O-(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanedioate
CID 11305832
1-O-methyl 5-O-(2-trimethylsilylethyl) (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-prop-2-enylpentanedioate
CID 10982278
(3S)-4-[[3-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethoxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 175887824
1-O-tert-butyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 75487896
1-O-ethyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 171364156
4-O-butyl 1-O-methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 118190807
fluoromethyl-dimethyl-[2-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]oxyethyl]azanium
CID 174201225
propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391129
chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 165439278
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (2R)-2-(sulfanylmethyl)butanedioate
CID 159236421
4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 4104742

Frequently Asked Questions

What is the IUPAC name of bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate?
The IUPAC name of bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate (CID 162728324) is bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate.
What is the SMILES notation for bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate?
The canonical SMILES for bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate is CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC[Si](C)(C)C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate?
The InChIKey is VWSHHNOJFMNAOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H39NO6Si2/c1-19(2,3)26-18(23)20-15(17(22)25-11-13-28(7,8)9)14-16(21)24-10-12-27(4,5)6/h15H,10-14H2,1-9H3,(H,20,23)/t15-/m0/s1.
What are the key properties of bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate?
bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate has a molecular weight of 433.69 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate is sourced from PubChem (CID 162728324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).