tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate

C12H21NO4 — CID 90325385

IUPACtert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate
SMILESCC(=O)CC1(CNC(=O)OC(C)(C)C)COC1
InChIInChI=1S/C12H21NO4/c1-9(14)5-12(7-16-8-12)6-13-10(15)17-11(2,3)4/h5-8H2,1-4H3,(H,13,15)
InChIKeyWYPONJAREPCXCV-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.51
Rot. Bonds4

About tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate

tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate (PubChem CID 90325385) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate
PubChem CID90325385
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate
SMILESCC(=O)CC1(CNC(=O)OC(C)(C)C)COC1
InChIInChI=1S/C12H21NO4/c1-9(14)5-12(7-16-8-12)6-13-10(15)17-11(2,3)4/h5-8H2,1-4H3,(H,13,15)
InChIKeyWYPONJAREPCXCV-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate (CID 90325385) is tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate is CC(=O)CC1(CNC(=O)OC(C)(C)C)COC1.
What is the InChIKey of tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate?
The InChIKey is WYPONJAREPCXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(14)5-12(7-16-8-12)6-13-10(15)17-11(2,3)4/h5-8H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate?
tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate has a molecular weight of 243.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate is sourced from PubChem (CID 90325385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).