1-(2-aminoethyl)azetidin-3-ol

C5H12N2O — CID 53402484

IUPAC1-(2-aminoethyl)azetidin-3-ol
SMILESNCCN1CC(O)C1
InChIInChI=1S/C5H12N2O/c6-1-2-7-3-5(8)4-7/h5,8H,1-4,6H2
InChIKeyBOFAYJDENPSRMM-UHFFFAOYSA-N
MW116.16 g/mol
LogP-1.38
Rot. Bonds2

About 1-(2-aminoethyl)azetidin-3-ol

1-(2-aminoethyl)azetidin-3-ol (PubChem CID 53402484) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(2-aminoethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)azetidin-3-ol
PubChem CID53402484
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-(2-aminoethyl)azetidin-3-ol
SMILESNCCN1CC(O)C1
InChIInChI=1S/C5H12N2O/c6-1-2-7-3-5(8)4-7/h5,8H,1-4,6H2
InChIKeyBOFAYJDENPSRMM-UHFFFAOYSA-N
XLogP-1.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)azetidin-3-ol?
The IUPAC name of 1-(2-aminoethyl)azetidin-3-ol (CID 53402484) is 1-(2-aminoethyl)azetidin-3-ol.
What is the SMILES notation for 1-(2-aminoethyl)azetidin-3-ol?
The canonical SMILES for 1-(2-aminoethyl)azetidin-3-ol is NCCN1CC(O)C1.
What is the InChIKey of 1-(2-aminoethyl)azetidin-3-ol?
The InChIKey is BOFAYJDENPSRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-1-2-7-3-5(8)4-7/h5,8H,1-4,6H2.
What are the key properties of 1-(2-aminoethyl)azetidin-3-ol?
1-(2-aminoethyl)azetidin-3-ol has a molecular weight of 116.16 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)azetidin-3-ol is sourced from PubChem (CID 53402484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).