1-(3-aminooxetan-3-yl)ethanol

C5H11NO2 — CID 163321395

IUPAC1-(3-aminooxetan-3-yl)ethanol
SMILESCC(O)C1(N)COC1
InChIInChI=1S/C5H11NO2/c1-4(7)5(6)2-8-3-5/h4,7H,2-3,6H2,1H3
InChIKeyXNLRHJWZAOTUTI-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.91
Rot. Bonds1

About 1-(3-aminooxetan-3-yl)ethanol

1-(3-aminooxetan-3-yl)ethanol (PubChem CID 163321395) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(3-aminooxetan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminooxetan-3-yl)ethanol
PubChem CID163321395
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(3-aminooxetan-3-yl)ethanol
SMILESCC(O)C1(N)COC1
InChIInChI=1S/C5H11NO2/c1-4(7)5(6)2-8-3-5/h4,7H,2-3,6H2,1H3
InChIKeyXNLRHJWZAOTUTI-UHFFFAOYSA-N
XLogP-0.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 53346589
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CID 71432942
CID 71432942
CID 155821403
CID 155821403
CID 13375430
CID 13375430
CID 13375431
CID 13375431
CID 14762959
CID 14762959
CID 14762960
CID 14762960
CID 55288552
CID 55288552
CID 59594263
CID 59594263
CID 86332738
CID 86332738

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxetan-3-yl)ethanol?
The IUPAC name of 1-(3-aminooxetan-3-yl)ethanol (CID 163321395) is 1-(3-aminooxetan-3-yl)ethanol.
What is the SMILES notation for 1-(3-aminooxetan-3-yl)ethanol?
The canonical SMILES for 1-(3-aminooxetan-3-yl)ethanol is CC(O)C1(N)COC1.
What is the InChIKey of 1-(3-aminooxetan-3-yl)ethanol?
The InChIKey is XNLRHJWZAOTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(7)5(6)2-8-3-5/h4,7H,2-3,6H2,1H3.
What are the key properties of 1-(3-aminooxetan-3-yl)ethanol?
1-(3-aminooxetan-3-yl)ethanol has a molecular weight of 117.15 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxetan-3-yl)ethanol is sourced from PubChem (CID 163321395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).