3-(2-aminopropan-2-yl)oxetan-3-ol

C6H13NO2 — CID 155291014

IUPAC3-(2-aminopropan-2-yl)oxetan-3-ol
SMILESCC(C)(N)C1(O)COC1
InChIInChI=1S/C6H13NO2/c1-5(2,7)6(8)3-9-4-6/h8H,3-4,7H2,1-2H3
InChIKeyNLNRVMLFWWLEDM-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.51
Rot. Bonds1

About 3-(2-aminopropan-2-yl)oxetan-3-ol

3-(2-aminopropan-2-yl)oxetan-3-ol (PubChem CID 155291014) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)oxetan-3-ol
PubChem CID155291014
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-(2-aminopropan-2-yl)oxetan-3-ol
SMILESCC(C)(N)C1(O)COC1
InChIInChI=1S/C6H13NO2/c1-5(2,7)6(8)3-9-4-6/h8H,3-4,7H2,1-2H3
InChIKeyNLNRVMLFWWLEDM-UHFFFAOYSA-N
XLogP-0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)oxetan-3-ol?
The IUPAC name of 3-(2-aminopropan-2-yl)oxetan-3-ol (CID 155291014) is 3-(2-aminopropan-2-yl)oxetan-3-ol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)oxetan-3-ol?
The canonical SMILES for 3-(2-aminopropan-2-yl)oxetan-3-ol is CC(C)(N)C1(O)COC1.
What is the InChIKey of 3-(2-aminopropan-2-yl)oxetan-3-ol?
The InChIKey is NLNRVMLFWWLEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2,7)6(8)3-9-4-6/h8H,3-4,7H2,1-2H3.
What are the key properties of 3-(2-aminopropan-2-yl)oxetan-3-ol?
3-(2-aminopropan-2-yl)oxetan-3-ol has a molecular weight of 131.17 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)oxetan-3-ol is sourced from PubChem (CID 155291014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).