(3S)-3-azidooxolan-2-one

C4H5N3O2 — CID 11469084

IUPAC(3S)-3-azidooxolan-2-one
SMILES[N-]=[N+]=N[C@H]1CCOC1=O
InChIInChI=1S/C4H5N3O2/c5-7-6-3-1-2-9-4(3)8/h3H,1-2H2/t3-/m0/s1
InChIKeyNJGMCOSYZCPHMK-VKHMYHEASA-N
MW127.10 g/mol
LogP0.61
Rot. Bonds1

About (3S)-3-azidooxolan-2-one

(3S)-3-azidooxolan-2-one (PubChem CID 11469084) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is (3S)-3-azidooxolan-2-one.

Molecular Properties

Compound Name(3S)-3-azidooxolan-2-one
PubChem CID11469084
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name(3S)-3-azidooxolan-2-one
SMILES[N-]=[N+]=N[C@H]1CCOC1=O
InChIInChI=1S/C4H5N3O2/c5-7-6-3-1-2-9-4(3)8/h3H,1-2H2/t3-/m0/s1
InChIKeyNJGMCOSYZCPHMK-VKHMYHEASA-N
XLogP0.61
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3S)-3-azidooxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-azidooxolan-2-one?
The IUPAC name of (3S)-3-azidooxolan-2-one (CID 11469084) is (3S)-3-azidooxolan-2-one.
What is the SMILES notation for (3S)-3-azidooxolan-2-one?
The canonical SMILES for (3S)-3-azidooxolan-2-one is [N-]=[N+]=N[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-azidooxolan-2-one?
The InChIKey is NJGMCOSYZCPHMK-VKHMYHEASA-N. The full InChI is InChI=1S/C4H5N3O2/c5-7-6-3-1-2-9-4(3)8/h3H,1-2H2/t3-/m0/s1.
What are the key properties of (3S)-3-azidooxolan-2-one?
(3S)-3-azidooxolan-2-one has a molecular weight of 127.10 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-azidooxolan-2-one is sourced from PubChem (CID 11469084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).