bis((2S)-2-(methoxymethyl)azetidine);oxalic acid

C12H24N2O6 — CID 91826002

IUPACbis((2S)-2-(methoxymethyl)azetidine);oxalic acid
SMILESCOC[C@@H]1CCN1.COC[C@@H]1CCN1.O=C(O)C(=O)O
InChIInChI=1S/2C5H11NO.C2H2O4/c2*1-7-4-5-2-3-6-5;3-1(4)2(5)6/h2*5-6H,2-4H2,1H3;(H,3,4)(H,5,6)/t2*5-;/m00./s1
InChIKeyBEXZLPKIIUXDRX-MDTVQASCSA-N
MW292.33 g/mol
LogP-0.86
Rot. Bonds4

About bis((2S)-2-(methoxymethyl)azetidine);oxalic acid

bis((2S)-2-(methoxymethyl)azetidine);oxalic acid (PubChem CID 91826002) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is bis((2S)-2-(methoxymethyl)azetidine);oxalic acid.

Molecular Properties

Compound Namebis((2S)-2-(methoxymethyl)azetidine);oxalic acid
PubChem CID91826002
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Namebis((2S)-2-(methoxymethyl)azetidine);oxalic acid
SMILESCOC[C@@H]1CCN1.COC[C@@H]1CCN1.O=C(O)C(=O)O
InChIInChI=1S/2C5H11NO.C2H2O4/c2*1-7-4-5-2-3-6-5;3-1(4)2(5)6/h2*5-6H,2-4H2,1H3;(H,3,4)(H,5,6)/t2*5-;/m00./s1
InChIKeyBEXZLPKIIUXDRX-MDTVQASCSA-N
XLogP-0.86
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.86
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 bis((2S)-2-(methoxymethyl)azetidine);oxalic acid?
The IUPAC name of bis((2S)-2-(methoxymethyl)azetidine);oxalic acid (CID 91826002) is bis((2S)-2-(methoxymethyl)azetidine);oxalic acid.
What is the SMILES notation for bis((2S)-2-(methoxymethyl)azetidine);oxalic acid?
The canonical SMILES for bis((2S)-2-(methoxymethyl)azetidine);oxalic acid is COC[C@@H]1CCN1.COC[C@@H]1CCN1.O=C(O)C(=O)O.
What is the InChIKey of bis((2S)-2-(methoxymethyl)azetidine);oxalic acid?
The InChIKey is BEXZLPKIIUXDRX-MDTVQASCSA-N. The full InChI is InChI=1S/2C5H11NO.C2H2O4/c2*1-7-4-5-2-3-6-5;3-1(4)2(5)6/h2*5-6H,2-4H2,1H3;(H,3,4)(H,5,6)/t2*5-;/m00./s1.
What are the key properties of bis((2S)-2-(methoxymethyl)azetidine);oxalic acid?
bis((2S)-2-(methoxymethyl)azetidine);oxalic acid has a molecular weight of 292.33 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S)-2-(methoxymethyl)azetidine);oxalic acid is sourced from PubChem (CID 91826002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).