benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate

C18H29NO4Si — CID 175899923

IUPACbenzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](C=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H29NO4Si/c1-18(2,3)24(4,5)23-12-11-16(13-20)19-17(21)22-14-15-9-7-6-8-10-15/h6-10,13,16H,11-12,14H2,1-5H3,(H,19,21)/t16-/m1/s1
InChIKeyHZOIGLBJFOYZAM-MRXNPFEDSA-N
MW351.52 g/mol
LogP3.89
Rot. Bonds8

About benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate

benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate (PubChem CID 175899923) has the molecular formula C18H29NO4Si and a molecular weight of 351.52 g/mol. Its IUPAC name is benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
PubChem CID175899923
Molecular FormulaC18H29NO4Si
Molecular Weight351.52 g/mol
Exact Mass351.19
IUPAC Namebenzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](C=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H29NO4Si/c1-18(2,3)24(4,5)23-12-11-16(13-20)19-17(21)22-14-15-9-7-6-8-10-15/h6-10,13,16H,11-12,14H2,1-5H3,(H,19,21)/t16-/m1/s1
InChIKeyHZOIGLBJFOYZAM-MRXNPFEDSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.89
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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Related Compounds

5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 18711702
methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 138593284
benzyl N-[(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 87844984
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 59013213
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
benzyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]carbamate
CID 150347845
[(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxycarbonylamino)pent-1-en-3-yl] acetate
CID 10971559
tert-butyl N-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-2-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59684355
benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
CID 46179798
methyl-N-[6-oxo-5-(phenylmethoxycarbonylamino)hexyl]boronamidic acid
CID 174089107
benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate
CID 174093029
benzyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-[(2S)-oxiran-2-yl]butan-2-yl]carbamate
CID 11338426

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate (CID 175899923) is benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate is CC(C)(C)[Si](C)(C)OCC[C@H](C=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate?
The InChIKey is HZOIGLBJFOYZAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29NO4Si/c1-18(2,3)24(4,5)23-12-11-16(13-20)19-17(21)22-14-15-9-7-6-8-10-15/h6-10,13,16H,11-12,14H2,1-5H3,(H,19,21)/t16-/m1/s1.
What are the key properties of benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate?
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate has a molecular weight of 351.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 175899923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).