tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate

C10H19NO4 — CID 74788492

IUPACtert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(CO)COC1
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-4-10(5-12)6-14-7-10/h12H,4-7H2,1-3H3,(H,11,13)
InChIKeyVIDOCWLVTHFRNZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.52
Rot. Bonds3

About tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate

tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate (PubChem CID 74788492) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate
PubChem CID74788492
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(CO)COC1
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-4-10(5-12)6-14-7-10/h12H,4-7H2,1-3H3,(H,11,13)
InChIKeyVIDOCWLVTHFRNZ-UHFFFAOYSA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate (CID 74788492) is tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(CO)COC1.
What is the InChIKey of tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate?
The InChIKey is VIDOCWLVTHFRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-4-10(5-12)6-14-7-10/h12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate?
tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]carbamate is sourced from PubChem (CID 74788492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).