oxalic acid;bis(3-(oxetan-3-yl)azetidine)

C14H24N2O6 — CID 84819356

IUPACoxalic acid;bis(3-(oxetan-3-yl)azetidine)
SMILESC1NCC1C1COC1.C1NCC1C1COC1.O=C(O)C(=O)O
InChIInChI=1S/2C6H11NO.C2H2O4/c2*1-5(2-7-1)6-3-8-4-6;3-1(4)2(5)6/h2*5-7H,1-4H2;(H,3,4)(H,5,6)
InChIKeyNSBLUUDIBPFTJQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP-1.14
Rot. Bonds2

About oxalic acid;bis(3-(oxetan-3-yl)azetidine)

oxalic acid;bis(3-(oxetan-3-yl)azetidine) (PubChem CID 84819356) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is oxalic acid;bis(3-(oxetan-3-yl)azetidine).

Molecular Properties

Compound Nameoxalic acid;bis(3-(oxetan-3-yl)azetidine)
PubChem CID84819356
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Nameoxalic acid;bis(3-(oxetan-3-yl)azetidine)
SMILESC1NCC1C1COC1.C1NCC1C1COC1.O=C(O)C(=O)O
InChIInChI=1S/2C6H11NO.C2H2O4/c2*1-5(2-7-1)6-3-8-4-6;3-1(4)2(5)6/h2*5-7H,1-4H2;(H,3,4)(H,5,6)
InChIKeyNSBLUUDIBPFTJQ-UHFFFAOYSA-N
XLogP-1.14
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;bis(3-(oxetan-3-yl)azetidine)?
The IUPAC name of oxalic acid;bis(3-(oxetan-3-yl)azetidine) (CID 84819356) is oxalic acid;bis(3-(oxetan-3-yl)azetidine).
What is the SMILES notation for oxalic acid;bis(3-(oxetan-3-yl)azetidine)?
The canonical SMILES for oxalic acid;bis(3-(oxetan-3-yl)azetidine) is C1NCC1C1COC1.C1NCC1C1COC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;bis(3-(oxetan-3-yl)azetidine)?
The InChIKey is NSBLUUDIBPFTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO.C2H2O4/c2*1-5(2-7-1)6-3-8-4-6;3-1(4)2(5)6/h2*5-7H,1-4H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;bis(3-(oxetan-3-yl)azetidine)?
oxalic acid;bis(3-(oxetan-3-yl)azetidine) has a molecular weight of 316.35 g/mol, XLogP of -1.14, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;bis(3-(oxetan-3-yl)azetidine) is sourced from PubChem (CID 84819356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).