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

C18H31NO4Si — CID 11068191

IUPACbenzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H31NO4Si/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/h6-10,16,20H,11-14H2,1-5H3,(H,19,21)/t16-/m0/s1
InChIKeyVBTGWFKXNCXFOA-INIZCTEOSA-N
MW353.54 g/mol
LogP3.69
Rot. Bonds8

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

benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate (PubChem CID 11068191) has the molecular formula C18H31NO4Si and a molecular weight of 353.54 g/mol. Its IUPAC name is benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate
PubChem CID11068191
Molecular FormulaC18H31NO4Si
Molecular Weight353.54 g/mol
Exact Mass353.20
IUPAC Namebenzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H31NO4Si/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/h6-10,16,20H,11-14H2,1-5H3,(H,19,21)/t16-/m0/s1
InChIKeyVBTGWFKXNCXFOA-INIZCTEOSA-N
XLogP3.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.69
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

N-carbobenzyloxyalanine
CID 736104
N-Carbobenzoyl-DL-valine
CID 97743
N-Cbz-d-alanine
CID 70832
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
Cbz-L-Homoserine
CID 489187
N-alpha-Benzyloxycarbonyl-D-valine
CID 712434
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
N-carbobenzoxy-L-phenylalanilol
CID 853481
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
Benzyl N-(3-hydroxypropyl)carbamate
CID 562256
benzyl N-(4-hydroxybutyl)carbamate
CID 3366758
Carbamic acid, (6-hydroxyhexyl)-, phenylmethyl ester
CID 4184071

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate (CID 11068191) is benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate is CC(C)(C)[Si](C)(C)OCC[C@@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate?
The InChIKey is VBTGWFKXNCXFOA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31NO4Si/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/h6-10,16,20H,11-14H2,1-5H3,(H,19,21)/t16-/m0/s1.
What are the key properties of benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate?
benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate has a molecular weight of 353.54 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 11068191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).