oxalic acid;bis(3-phenylazetidine)

C20H24N2O4 — CID 155487541

IUPACoxalic acid;bis(3-phenylazetidine)
SMILESO=C(O)C(=O)O.c1ccc(C2CNC2)cc1.c1ccc(C2CNC2)cc1
InChIInChI=1S/2C9H11N.C2H2O4/c2*1-2-4-8(5-3-1)9-6-10-7-9;3-1(4)2(5)6/h2*1-5,9-10H,6-7H2;(H,3,4)(H,5,6)
InChIKeyYADXJOOKPMCUBF-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.90
Rot. Bonds2

About oxalic acid;bis(3-phenylazetidine)

oxalic acid;bis(3-phenylazetidine) (PubChem CID 155487541) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is oxalic acid;bis(3-phenylazetidine).

Molecular Properties

Compound Nameoxalic acid;bis(3-phenylazetidine)
PubChem CID155487541
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameoxalic acid;bis(3-phenylazetidine)
SMILESO=C(O)C(=O)O.c1ccc(C2CNC2)cc1.c1ccc(C2CNC2)cc1
InChIInChI=1S/2C9H11N.C2H2O4/c2*1-2-4-8(5-3-1)9-6-10-7-9;3-1(4)2(5)6/h2*1-5,9-10H,6-7H2;(H,3,4)(H,5,6)
InChIKeyYADXJOOKPMCUBF-UHFFFAOYSA-N
XLogP1.90
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxalic acid;bis(3-phenylazetidine) 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 oxalic acid;bis(3-phenylazetidine)?
The IUPAC name of oxalic acid;bis(3-phenylazetidine) (CID 155487541) is oxalic acid;bis(3-phenylazetidine).
What is the SMILES notation for oxalic acid;bis(3-phenylazetidine)?
The canonical SMILES for oxalic acid;bis(3-phenylazetidine) is O=C(O)C(=O)O.c1ccc(C2CNC2)cc1.c1ccc(C2CNC2)cc1.
What is the InChIKey of oxalic acid;bis(3-phenylazetidine)?
The InChIKey is YADXJOOKPMCUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.C2H2O4/c2*1-2-4-8(5-3-1)9-6-10-7-9;3-1(4)2(5)6/h2*1-5,9-10H,6-7H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;bis(3-phenylazetidine)?
oxalic acid;bis(3-phenylazetidine) has a molecular weight of 356.42 g/mol, XLogP of 1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;bis(3-phenylazetidine) is sourced from PubChem (CID 155487541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).