2-formyloxyazetidine-1-carboxylic acid

C5H7NO4 — CID 174883081

IUPAC2-formyloxyazetidine-1-carboxylic acid
SMILESO=COC1CCN1C(=O)O
InChIInChI=1S/C5H7NO4/c7-3-10-4-1-2-6(4)5(8)9/h3-4H,1-2H2,(H,8,9)
InChIKeyPGSATHDNALESHC-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.13
Rot. Bonds2

About 2-formyloxyazetidine-1-carboxylic acid

2-formyloxyazetidine-1-carboxylic acid (PubChem CID 174883081) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 2-formyloxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-formyloxyazetidine-1-carboxylic acid
PubChem CID174883081
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name2-formyloxyazetidine-1-carboxylic acid
SMILESO=COC1CCN1C(=O)O
InChIInChI=1S/C5H7NO4/c7-3-10-4-1-2-6(4)5(8)9/h3-4H,1-2H2,(H,8,9)
InChIKeyPGSATHDNALESHC-UHFFFAOYSA-N
XLogP-0.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-formyloxyazetidine-1-carboxylic acid 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 2-formyloxyazetidine-1-carboxylic acid?
The IUPAC name of 2-formyloxyazetidine-1-carboxylic acid (CID 174883081) is 2-formyloxyazetidine-1-carboxylic acid.
What is the SMILES notation for 2-formyloxyazetidine-1-carboxylic acid?
The canonical SMILES for 2-formyloxyazetidine-1-carboxylic acid is O=COC1CCN1C(=O)O.
What is the InChIKey of 2-formyloxyazetidine-1-carboxylic acid?
The InChIKey is PGSATHDNALESHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-3-10-4-1-2-6(4)5(8)9/h3-4H,1-2H2,(H,8,9).
What are the key properties of 2-formyloxyazetidine-1-carboxylic acid?
2-formyloxyazetidine-1-carboxylic acid has a molecular weight of 145.11 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyloxyazetidine-1-carboxylic acid is sourced from PubChem (CID 174883081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).