sodium aziridine-2-carboxylate

C3H4NNaO2 — CID 23682512

IUPACsodium aziridine-2-carboxylate
SMILESO=C([O-])C1CN1.[Na+]
InChIInChI=1S/C3H5NO2.Na/c5-3(6)2-1-4-2;/h2,4H,1H2,(H,5,6);/q;+1/p-1
InChIKeyFJAWVRZITFCHEK-UHFFFAOYSA-M
MW109.06 g/mol
LogP-5.29
Rot. Bonds1

About sodium aziridine-2-carboxylate

sodium aziridine-2-carboxylate (PubChem CID 23682512) has the molecular formula C3H4NNaO2 and a molecular weight of 109.06 g/mol. Its IUPAC name is sodium aziridine-2-carboxylate.

Molecular Properties

Compound Namesodium aziridine-2-carboxylate
PubChem CID23682512
Molecular FormulaC3H4NNaO2
Molecular Weight109.06 g/mol
Exact Mass109.01
IUPAC Namesodium aziridine-2-carboxylate
SMILESO=C([O-])C1CN1.[Na+]
InChIInChI=1S/C3H5NO2.Na/c5-3(6)2-1-4-2;/h2,4H,1H2,(H,5,6);/q;+1/p-1
InChIKeyFJAWVRZITFCHEK-UHFFFAOYSA-M
XLogP-5.29
TPSA62.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.06
LogP ≤ 5-5.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium aziridine-2-carboxylate?
The IUPAC name of sodium aziridine-2-carboxylate (CID 23682512) is sodium aziridine-2-carboxylate.
What is the SMILES notation for sodium aziridine-2-carboxylate?
The canonical SMILES for sodium aziridine-2-carboxylate is O=C([O-])C1CN1.[Na+].
What is the InChIKey of sodium aziridine-2-carboxylate?
The InChIKey is FJAWVRZITFCHEK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5NO2.Na/c5-3(6)2-1-4-2;/h2,4H,1H2,(H,5,6);/q;+1/p-1.
What are the key properties of sodium aziridine-2-carboxylate?
sodium aziridine-2-carboxylate has a molecular weight of 109.06 g/mol, XLogP of -5.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium aziridine-2-carboxylate is sourced from PubChem (CID 23682512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).