sodium 2-[formyl(hydroxy)amino]acetic acid

C3H5NNaO4+ — CID 23617820

IUPACsodium 2-[formyl(hydroxy)amino]acetic acid
SMILESO=CN(O)CC(=O)O.[Na+]
InChIInChI=1S/C3H5NO4.Na/c5-2-4(8)1-3(6)7;/h2,8H,1H2,(H,6,7);/q;+1
InChIKeyGAGCLKDXQBHHBE-UHFFFAOYSA-N
MW142.07 g/mol
LogP-4.08
Rot. Bonds3

About sodium 2-[formyl(hydroxy)amino]acetic acid

sodium 2-[formyl(hydroxy)amino]acetic acid (PubChem CID 23617820) has the molecular formula C3H5NNaO4+ and a molecular weight of 142.07 g/mol. Its IUPAC name is sodium 2-[formyl(hydroxy)amino]acetic acid.

Molecular Properties

Compound Namesodium 2-[formyl(hydroxy)amino]acetic acid
PubChem CID23617820
Molecular FormulaC3H5NNaO4+
Molecular Weight142.07 g/mol
Exact Mass142.01
IUPAC Namesodium 2-[formyl(hydroxy)amino]acetic acid
SMILESO=CN(O)CC(=O)O.[Na+]
InChIInChI=1S/C3H5NO4.Na/c5-2-4(8)1-3(6)7;/h2,8H,1H2,(H,6,7);/q;+1
InChIKeyGAGCLKDXQBHHBE-UHFFFAOYSA-N
XLogP-4.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.07
LogP ≤ 5-4.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium 2-[formyl(hydroxy)amino]acetic acid
CID 54611881
2-[formyl(methyl)amino]acetic acid;hydrochloride
CID 141101166
2-[formyl(2-oxopropyl)amino]acetic acid
CID 121285927
[4-[formyl(hydroxy)amino]-2-hydroxy-2-(hydroxymethyl)-3-oxobutyl]phosphonic acid
CID 22644547
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
2-[2-[carboxymethyl(2-oxoethyl)amino]ethyl-(2-oxoethyl)amino]acetic acid
CID 57165525
CID 21029276
CID 21029276
magnesium;disodium;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);hydride
CID 173152374

Frequently Asked Questions

What is the IUPAC name of sodium 2-[formyl(hydroxy)amino]acetic acid?
The IUPAC name of sodium 2-[formyl(hydroxy)amino]acetic acid (CID 23617820) is sodium 2-[formyl(hydroxy)amino]acetic acid.
What is the SMILES notation for sodium 2-[formyl(hydroxy)amino]acetic acid?
The canonical SMILES for sodium 2-[formyl(hydroxy)amino]acetic acid is O=CN(O)CC(=O)O.[Na+].
What is the InChIKey of sodium 2-[formyl(hydroxy)amino]acetic acid?
The InChIKey is GAGCLKDXQBHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO4.Na/c5-2-4(8)1-3(6)7;/h2,8H,1H2,(H,6,7);/q;+1.
What are the key properties of sodium 2-[formyl(hydroxy)amino]acetic acid?
sodium 2-[formyl(hydroxy)amino]acetic acid has a molecular weight of 142.07 g/mol, XLogP of -4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[formyl(hydroxy)amino]acetic acid is sourced from PubChem (CID 23617820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).