benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate

C17H27NO4Si — CID 10925768

IUPACbenzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H27NO4Si/c1-17(2,3)23(4,5)22-13-15(11-19)18-16(20)21-12-14-9-7-6-8-10-14/h6-11,15H,12-13H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyYROPBIGCNIQCDD-OAHLLOKOSA-N
MW337.49 g/mol
LogP3.50
Rot. Bonds7

About benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate (PubChem CID 10925768) has the molecular formula C17H27NO4Si and a molecular weight of 337.49 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate
PubChem CID10925768
Molecular FormulaC17H27NO4Si
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Namebenzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H27NO4Si/c1-17(2,3)23(4,5)22-13-15(11-19)18-16(20)21-12-14-9-7-6-8-10-14/h6-11,15H,12-13H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyYROPBIGCNIQCDD-OAHLLOKOSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate (CID 10925768) is benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate is CC(C)(C)[Si](C)(C)OC[C@@H](C=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate?
The InChIKey is YROPBIGCNIQCDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NO4Si/c1-17(2,3)23(4,5)22-13-15(11-19)18-16(20)21-12-14-9-7-6-8-10-14/h6-11,15H,12-13H2,1-5H3,(H,18,20)/t15-/m1/s1.
What are the key properties of benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate has a molecular weight of 337.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 10925768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).