methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate

C12H25NO4Si — CID 11087017

IUPACmethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H25NO4Si/c1-9(10(14)16-5)13(18(6,7)8)11(15)17-12(2,3)4/h9H,1-8H3/t9-/m0/s1
InChIKeyHQUXRBAHWFMDFF-VIFPVBQESA-N
MW275.42 g/mol
LogP2.62
Rot. Bonds3

About methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate (PubChem CID 11087017) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate
PubChem CID11087017
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H25NO4Si/c1-9(10(14)16-5)13(18(6,7)8)11(15)17-12(2,3)4/h9H,1-8H3/t9-/m0/s1
InChIKeyHQUXRBAHWFMDFF-VIFPVBQESA-N
XLogP2.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl 5-methyl (5R)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10730990
Ethyl (R)-1-Boc-3,3-dimethyl-1,3-azasilolidine-5-carboxylate
CID 132560106
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate
CID 162417421
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate
CID 162417422
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate
CID 162417426
1-(Tert-butyl) 5-methyl (S)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10802244
methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 15228381
Methyl 2-[iodo-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 18520232
methyl (2S)-2-[chloro-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 18646054
methyl (2R)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanoate
CID 18652571
Methyl 2-(tert-butoxycarbonyl(methyl)amino)propanoate
CID 19608616
Methyl 2-[chloro-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 19826416

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate (CID 11087017) is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate is COC(=O)[C@H](C)N(C(=O)OC(C)(C)C)[Si](C)(C)C.
What is the InChIKey of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate?
The InChIKey is HQUXRBAHWFMDFF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-9(10(14)16-5)13(18(6,7)8)11(15)17-12(2,3)4/h9H,1-8H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate?
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate has a molecular weight of 275.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate is sourced from PubChem (CID 11087017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).