(2R)-azetidine-2-carbonitrile;oxalic acid

C6H8N2O4 — CID 163197852

IUPAC(2R)-azetidine-2-carbonitrile;oxalic acid
SMILESN#C[C@H]1CCN1.O=C(O)C(=O)O
InChIInChI=1S/C4H6N2.C2H2O4/c5-3-4-1-2-6-4;3-1(4)2(5)6/h4,6H,1-2H2;(H,3,4)(H,5,6)/t4-;/m1./s1
InChIKeyWZYNLUHEUYTFAS-PGMHMLKASA-N
MW172.14 g/mol
LogP-0.97
Rot. Bonds

About (2R)-azetidine-2-carbonitrile;oxalic acid

(2R)-azetidine-2-carbonitrile;oxalic acid (PubChem CID 163197852) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is (2R)-azetidine-2-carbonitrile;oxalic acid.

Molecular Properties

Compound Name(2R)-azetidine-2-carbonitrile;oxalic acid
PubChem CID163197852
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name(2R)-azetidine-2-carbonitrile;oxalic acid
SMILESN#C[C@H]1CCN1.O=C(O)C(=O)O
InChIInChI=1S/C4H6N2.C2H2O4/c5-3-4-1-2-6-4;3-1(4)2(5)6/h4,6H,1-2H2;(H,3,4)(H,5,6)/t4-;/m1./s1
InChIKeyWZYNLUHEUYTFAS-PGMHMLKASA-N
XLogP-0.97
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2R)-azetidine-2-carbonitrile;oxalic acid?
The IUPAC name of (2R)-azetidine-2-carbonitrile;oxalic acid (CID 163197852) is (2R)-azetidine-2-carbonitrile;oxalic acid.
What is the SMILES notation for (2R)-azetidine-2-carbonitrile;oxalic acid?
The canonical SMILES for (2R)-azetidine-2-carbonitrile;oxalic acid is N#C[C@H]1CCN1.O=C(O)C(=O)O.
What is the InChIKey of (2R)-azetidine-2-carbonitrile;oxalic acid?
The InChIKey is WZYNLUHEUYTFAS-PGMHMLKASA-N. The full InChI is InChI=1S/C4H6N2.C2H2O4/c5-3-4-1-2-6-4;3-1(4)2(5)6/h4,6H,1-2H2;(H,3,4)(H,5,6)/t4-;/m1./s1.
What are the key properties of (2R)-azetidine-2-carbonitrile;oxalic acid?
(2R)-azetidine-2-carbonitrile;oxalic acid has a molecular weight of 172.14 g/mol, XLogP of -0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-azetidine-2-carbonitrile;oxalic acid is sourced from PubChem (CID 163197852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).