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

C14H29NO4Si — CID 10851990

IUPAC2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC[C@@H](C(=O)OCC[Si](C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO4Si/c1-11(12(16)18-9-10-20(6,7)8)15(5)13(17)19-14(2,3)4/h11H,9-10H2,1-8H3/t11-/m0/s1
InChIKeyCNNUJFXMVMSDMD-NSHDSACASA-N
MW303.48 g/mol
LogP3.12
Rot. Bonds5

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

2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 10851990) has the molecular formula C14H29NO4Si and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID10851990
Molecular FormulaC14H29NO4Si
Molecular Weight303.48 g/mol
Exact Mass303.19
IUPAC Name2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC[C@@H](C(=O)OCC[Si](C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO4Si/c1-11(12(16)18-9-10-20(6,7)8)15(5)13(17)19-14(2,3)4/h11H,9-10H2,1-8H3/t11-/m0/s1
InChIKeyCNNUJFXMVMSDMD-NSHDSACASA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 10851990) is 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is C[C@@H](C(=O)OCC[Si](C)(C)C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is CNNUJFXMVMSDMD-NSHDSACASA-N. The full InChI is InChI=1S/C14H29NO4Si/c1-11(12(16)18-9-10-20(6,7)8)15(5)13(17)19-14(2,3)4/h11H,9-10H2,1-8H3/t11-/m0/s1.
What are the key properties of 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 303.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 10851990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).