benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate

C19H33NO4Si — CID 174093029

IUPACbenzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33NO4Si/c1-15(17(12-13-21)24-25(5,6)19(2,3)4)20-18(22)23-14-16-10-8-7-9-11-16/h7-11,15,17,21H,12-14H2,1-6H3,(H,20,22)/t15-,17?/m0/s1
InChIKeyWPEZUQDAIPWMPX-MYJWUSKBSA-N
MW367.56 g/mol
LogP4.07
Rot. Bonds8

About benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate

benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate (PubChem CID 174093029) has the molecular formula C19H33NO4Si and a molecular weight of 367.56 g/mol. Its IUPAC name is benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate
PubChem CID174093029
Molecular FormulaC19H33NO4Si
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC Namebenzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33NO4Si/c1-15(17(12-13-21)24-25(5,6)19(2,3)4)20-18(22)23-14-16-10-8-7-9-11-16/h7-11,15,17,21H,12-14H2,1-6H3,(H,20,22)/t15-,17?/m0/s1
InChIKeyWPEZUQDAIPWMPX-MYJWUSKBSA-N
XLogP4.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxycarbonylamino)pentyl] 4-methylbenzenesulfonate
CID 170520388
benzyl N-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 140747567
methyl (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11271071
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
(2R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]hexanoic acid
CID 90326409
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
benzyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-3-oxohexanoate
CID 59211797
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 15339572
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 176759089

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate (CID 174093029) is benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate?
The InChIKey is WPEZUQDAIPWMPX-MYJWUSKBSA-N. The full InChI is InChI=1S/C19H33NO4Si/c1-15(17(12-13-21)24-25(5,6)19(2,3)4)20-18(22)23-14-16-10-8-7-9-11-16/h7-11,15,17,21H,12-14H2,1-6H3,(H,20,22)/t15-,17?/m0/s1.
What are the key properties of benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate?
benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate has a molecular weight of 367.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate is sourced from PubChem (CID 174093029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).