sodium 2-amino-2-oxoethanolate

C2H4NNaO2 — CID 139729806

IUPACsodium 2-amino-2-oxoethanolate
SMILESNC(=O)C[O-].[Na+]
InChIInChI=1S/C2H4NO2.Na/c3-2(5)1-4;/h1H2,(H2,3,5);/q-1;+1
InChIKeyATYJQXQMSCIOMH-UHFFFAOYSA-N
MW97.05 g/mol
LogP-5.16
Rot. Bonds1

About sodium 2-amino-2-oxoethanolate

sodium 2-amino-2-oxoethanolate (PubChem CID 139729806) has the molecular formula C2H4NNaO2 and a molecular weight of 97.05 g/mol. Its IUPAC name is sodium 2-amino-2-oxoethanolate.

Molecular Properties

Compound Namesodium 2-amino-2-oxoethanolate
PubChem CID139729806
Molecular FormulaC2H4NNaO2
Molecular Weight97.05 g/mol
Exact Mass97.01
IUPAC Namesodium 2-amino-2-oxoethanolate
SMILESNC(=O)C[O-].[Na+]
InChIInChI=1S/C2H4NO2.Na/c3-2(5)1-4;/h1H2,(H2,3,5);/q-1;+1
InChIKeyATYJQXQMSCIOMH-UHFFFAOYSA-N
XLogP-5.16
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.05
LogP ≤ 5-5.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-2-oxoethanolate?
The IUPAC name of sodium 2-amino-2-oxoethanolate (CID 139729806) is sodium 2-amino-2-oxoethanolate.
What is the SMILES notation for sodium 2-amino-2-oxoethanolate?
The canonical SMILES for sodium 2-amino-2-oxoethanolate is NC(=O)C[O-].[Na+].
What is the InChIKey of sodium 2-amino-2-oxoethanolate?
The InChIKey is ATYJQXQMSCIOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2.Na/c3-2(5)1-4;/h1H2,(H2,3,5);/q-1;+1.
What are the key properties of sodium 2-amino-2-oxoethanolate?
sodium 2-amino-2-oxoethanolate has a molecular weight of 97.05 g/mol, XLogP of -5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-2-oxoethanolate is sourced from PubChem (CID 139729806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).