[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C17H33NO5Si — CID 24776861

IUPAC[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(OC(=O)CNC(=O)OC(C)(C)C)C(=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO5Si/c1-12(13(19)11-24(8,9)17(5,6)7)22-14(20)10-18-15(21)23-16(2,3)4/h12H,10-11H2,1-9H3,(H,18,21)
InChIKeyJNQLVRIFZSMOPJ-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.52
Rot. Bonds6

About [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 24776861) has the molecular formula C17H33NO5Si and a molecular weight of 359.54 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID24776861
Molecular FormulaC17H33NO5Si
Molecular Weight359.54 g/mol
Exact Mass359.21
IUPAC Name[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(OC(=O)CNC(=O)OC(C)(C)C)C(=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO5Si/c1-12(13(19)11-24(8,9)17(5,6)7)22-14(20)10-18-15(21)23-16(2,3)4/h12H,10-11H2,1-9H3,(H,18,21)
InChIKeyJNQLVRIFZSMOPJ-UHFFFAOYSA-N
XLogP3.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 72816176
1-chloroethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 160654260
methyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxypropanoyloxy]butanoate
CID 139322704
6-methylheptan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 170788050
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
CID 105462603
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 137320750
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
1-butanoyloxyethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 25155020

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 24776861) is [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(OC(=O)CNC(=O)OC(C)(C)C)C(=O)C[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is JNQLVRIFZSMOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO5Si/c1-12(13(19)11-24(8,9)17(5,6)7)22-14(20)10-18-15(21)23-16(2,3)4/h12H,10-11H2,1-9H3,(H,18,21).
What are the key properties of [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 359.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 24776861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).