benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C20H33NO4Si — CID 101068065

IUPACbenzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO4Si/c1-19(2,3)25-18(23)21-16(26(7,8)20(4,5)6)17(22)24-14-15-12-10-9-11-13-15/h9-13,16H,14H2,1-8H3,(H,21,23)
InChIKeyMQSVLSOYCJICTL-UHFFFAOYSA-N
MW379.57 g/mol
LogP4.67
Rot. Bonds5

About benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 101068065) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID101068065
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Namebenzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO4Si/c1-19(2,3)25-18(23)21-16(26(7,8)20(4,5)6)17(22)24-14-15-12-10-9-11-13-15/h9-13,16H,14H2,1-8H3,(H,21,23)
InChIKeyMQSVLSOYCJICTL-UHFFFAOYSA-N
XLogP4.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.67
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

Benzyloxycarbonylglycine
CID 14349
L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
CID 90234
Methyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)acetate
CID 297850
Benzyl 2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetate
CID 3244524
Glycine, N-((phenylmethoxy)carbonyl)-, ethenyl ester
CID 47309
N-((Phenylmethoxy)carbonyl)glycine ethyl ester
CID 14366
(S)-tert-butyl 3-(benzyloxy)-1-oxopropan-2-ylcarbamate
CID 11196731
N-Carbobenzoxyglycine 1,2-dibromoethyl ester
CID 47310
Benzyl 2-(((tert-butoxy)carbonyl)amino)acetate
CID 357720
(R)-3-(benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid
CID 2733693
N-Carbobenzoxyglycine cyanomethyl ester
CID 17936
Valaciclovir Impurity 37
CID 2364839

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 101068065) is benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is MQSVLSOYCJICTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-19(2,3)25-18(23)21-16(26(7,8)20(4,5)6)17(22)24-14-15-12-10-9-11-13-15/h9-13,16H,14H2,1-8H3,(H,21,23).
What are the key properties of benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 379.57 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 101068065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).