[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid

C10H22N2O3Si — CID 141358006

IUPAC[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC1CN(NC(=O)O)C1
InChIInChI=1S/C10H22N2O3Si/c1-10(2,3)16(4,5)15-8-6-12(7-8)11-9(13)14/h8,11H,6-7H2,1-5H3,(H,13,14)
InChIKeyQQQUBILJIYYOCL-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.88
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid

[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid (PubChem CID 141358006) has the molecular formula C10H22N2O3Si and a molecular weight of 246.38 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
PubChem CID141358006
Molecular FormulaC10H22N2O3Si
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC1CN(NC(=O)O)C1
InChIInChI=1S/C10H22N2O3Si/c1-10(2,3)16(4,5)15-8-6-12(7-8)11-9(13)14/h8,11H,6-7H2,1-5H3,(H,13,14)
InChIKeyQQQUBILJIYYOCL-UHFFFAOYSA-N
XLogP1.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid
CID 89397320
3-[tert-butyl(dimethyl)silyl]oxy-2,3,4,7-tetrahydroazepine-1-carboxylic acid
CID 175874654
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 159982570
(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 66844757
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid
CID 67123094
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide
CID 166280109
tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
CID 85204387
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 69007279
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid (CID 141358006) is [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid is CC(C)(C)[Si](C)(C)OC1CN(NC(=O)O)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid?
The InChIKey is QQQUBILJIYYOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3Si/c1-10(2,3)16(4,5)15-8-6-12(7-8)11-9(13)14/h8,11H,6-7H2,1-5H3,(H,13,14).
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid?
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid has a molecular weight of 246.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid is sourced from PubChem (CID 141358006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).