3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid

C5H8N2O3 — CID 170166081

IUPAC3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(/C=N\O)C1
InChIInChI=1S/C5H8N2O3/c8-5(9)7-2-4(3-7)1-6-10/h1,4,10H,2-3H2,(H,8,9)/b6-1-
InChIKeyOTTQLSCIKHLTCG-BHQIHCQQSA-N
MW144.13 g/mol
LogP0.06
Rot. Bonds1

About 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid

3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid (PubChem CID 170166081) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid
PubChem CID170166081
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(/C=N\O)C1
InChIInChI=1S/C5H8N2O3/c8-5(9)7-2-4(3-7)1-6-10/h1,4,10H,2-3H2,(H,8,9)/b6-1-
InChIKeyOTTQLSCIKHLTCG-BHQIHCQQSA-N
XLogP0.06
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(Z)-hydroxyiminomethyl]azetidine-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 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid (CID 170166081) is 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid is O=C(O)N1CC(/C=N\O)C1.
What is the InChIKey of 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid?
The InChIKey is OTTQLSCIKHLTCG-BHQIHCQQSA-N. The full InChI is InChI=1S/C5H8N2O3/c8-5(9)7-2-4(3-7)1-6-10/h1,4,10H,2-3H2,(H,8,9)/b6-1-.
What are the key properties of 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid?
3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 170166081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).