propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate

C8H15NO3 — CID 58468928

IUPACpropan-2-yl N-methyl-N-(oxetan-3-yl)carbamate
SMILESCC(C)OC(=O)N(C)C1COC1
InChIInChI=1S/C8H15NO3/c1-6(2)12-8(10)9(3)7-4-11-5-7/h6-7H,4-5H2,1-3H3
InChIKeyHPPXGHZTFYMFNH-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.86
Rot. Bonds2

About propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate

propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate (PubChem CID 58468928) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-(oxetan-3-yl)carbamate
PubChem CID58468928
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropan-2-yl N-methyl-N-(oxetan-3-yl)carbamate
SMILESCC(C)OC(=O)N(C)C1COC1
InChIInChI=1S/C8H15NO3/c1-6(2)12-8(10)9(3)7-4-11-5-7/h6-7H,4-5H2,1-3H3
InChIKeyHPPXGHZTFYMFNH-UHFFFAOYSA-N
XLogP0.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate?
The IUPAC name of propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate (CID 58468928) is propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate is CC(C)OC(=O)N(C)C1COC1.
What is the InChIKey of propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate?
The InChIKey is HPPXGHZTFYMFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)12-8(10)9(3)7-4-11-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate?
propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate is sourced from PubChem (CID 58468928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).