4-(azetidin-3-ylamino)oxolan-3-ol

C7H14N2O2 — CID 126856880

IUPAC4-(azetidin-3-ylamino)oxolan-3-ol
SMILESOC1COCC1NC1CNC1
InChIInChI=1S/C7H14N2O2/c10-7-4-11-3-6(7)9-5-1-8-2-5/h5-10H,1-4H2
InChIKeyATIRLSVAUUSEEU-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.69
Rot. Bonds2

About 4-(azetidin-3-ylamino)oxolan-3-ol

4-(azetidin-3-ylamino)oxolan-3-ol (PubChem CID 126856880) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(azetidin-3-ylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(azetidin-3-ylamino)oxolan-3-ol
PubChem CID126856880
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4-(azetidin-3-ylamino)oxolan-3-ol
SMILESOC1COCC1NC1CNC1
InChIInChI=1S/C7H14N2O2/c10-7-4-11-3-6(7)9-5-1-8-2-5/h5-10H,1-4H2
InChIKeyATIRLSVAUUSEEU-UHFFFAOYSA-N
XLogP-1.69
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylamino)oxolan-3-ol?
The IUPAC name of 4-(azetidin-3-ylamino)oxolan-3-ol (CID 126856880) is 4-(azetidin-3-ylamino)oxolan-3-ol.
What is the SMILES notation for 4-(azetidin-3-ylamino)oxolan-3-ol?
The canonical SMILES for 4-(azetidin-3-ylamino)oxolan-3-ol is OC1COCC1NC1CNC1.
What is the InChIKey of 4-(azetidin-3-ylamino)oxolan-3-ol?
The InChIKey is ATIRLSVAUUSEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-7-4-11-3-6(7)9-5-1-8-2-5/h5-10H,1-4H2.
What are the key properties of 4-(azetidin-3-ylamino)oxolan-3-ol?
4-(azetidin-3-ylamino)oxolan-3-ol has a molecular weight of 158.20 g/mol, XLogP of -1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylamino)oxolan-3-ol is sourced from PubChem (CID 126856880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).