tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate

C10H19NO4 — CID 165120653

IUPACtert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate
SMILESCC(O)C1(NC(=O)OC(C)(C)C)COC1
InChIInChI=1S/C10H19NO4/c1-7(12)10(5-14-6-10)11-8(13)15-9(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyYABDYIWUSMECJF-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.66
Rot. Bonds2

About tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate

tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate (PubChem CID 165120653) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate
PubChem CID165120653
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate
SMILESCC(O)C1(NC(=O)OC(C)(C)C)COC1
InChIInChI=1S/C10H19NO4/c1-7(12)10(5-14-6-10)11-8(13)15-9(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyYABDYIWUSMECJF-UHFFFAOYSA-N
XLogP0.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.66
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-(1-hydroxyethyl)oxetan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate (CID 165120653) is tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate is CC(O)C1(NC(=O)OC(C)(C)C)COC1.
What is the InChIKey of tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate?
The InChIKey is YABDYIWUSMECJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(12)10(5-14-6-10)11-8(13)15-9(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate?
tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-hydroxyethyl)oxetan-3-yl]carbamate is sourced from PubChem (CID 165120653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).