3-aminoazetidin-3-ol

C3H8N2O — CID 123946188

IUPAC3-aminoazetidin-3-ol
SMILESNC1(O)CNC1
InChIInChI=1S/C3H8N2O/c4-3(6)1-5-2-3/h5-6H,1-2,4H2
InChIKeySYYULCYKVAYVET-UHFFFAOYSA-N
MW88.11 g/mol
LogP-1.76
Rot. Bonds

About 3-aminoazetidin-3-ol

3-aminoazetidin-3-ol (PubChem CID 123946188) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is 3-aminoazetidin-3-ol.

Molecular Properties

Compound Name3-aminoazetidin-3-ol
PubChem CID123946188
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name3-aminoazetidin-3-ol
SMILESNC1(O)CNC1
InChIInChI=1S/C3H8N2O/c4-3(6)1-5-2-3/h5-6H,1-2,4H2
InChIKeySYYULCYKVAYVET-UHFFFAOYSA-N
XLogP-1.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminoazetidin-3-ol?
The IUPAC name of 3-aminoazetidin-3-ol (CID 123946188) is 3-aminoazetidin-3-ol.
What is the SMILES notation for 3-aminoazetidin-3-ol?
The canonical SMILES for 3-aminoazetidin-3-ol is NC1(O)CNC1.
What is the InChIKey of 3-aminoazetidin-3-ol?
The InChIKey is SYYULCYKVAYVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c4-3(6)1-5-2-3/h5-6H,1-2,4H2.
What are the key properties of 3-aminoazetidin-3-ol?
3-aminoazetidin-3-ol has a molecular weight of 88.11 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoazetidin-3-ol is sourced from PubChem (CID 123946188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).