2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C13H27NO4Si — CID 174938444

IUPAC2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H27NO4Si/c1-10(14-12(16)18-13(2,3)4)11(15)17-8-9-19(5,6)7/h10H,8-9H2,1-7H3,(H,14,16)
InChIKeyTXWIZFFMEIIRLT-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.78
Rot. Bonds5

About 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 174938444) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID174938444
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Name2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H27NO4Si/c1-10(14-12(16)18-13(2,3)4)11(15)17-8-9-19(5,6)7/h10H,8-9H2,1-7H3,(H,14,16)
InChIKeyTXWIZFFMEIIRLT-UHFFFAOYSA-N
XLogP2.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91323049
bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 162728324
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxyethyl 2-methylprop-2-enoate
CID 122369421
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid
CID 14629047
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
[(2S)-4,4-dimethylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146590290
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
(3,3,3-trifluoro-2,2-dimethylpropyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175315218
2-sulfanylpropan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 141480656
1-O-methyl 5-O-(2-trimethylsilylethyl) (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-prop-2-enylpentanedioate
CID 10982278
2-(phenylmethoxycarbonylamino)ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156835535

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 174938444) is 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(NC(=O)OC(C)(C)C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is TXWIZFFMEIIRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-10(14-12(16)18-13(2,3)4)11(15)17-8-9-19(5,6)7/h10H,8-9H2,1-7H3,(H,14,16).
What are the key properties of 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 289.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 174938444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).