sodium 2-[formyl(hydroxy)amino]propanoate

C4H6NNaO4 — CID 23691969

IUPACsodium 2-[formyl(hydroxy)amino]propanoate
SMILESCC(C(=O)[O-])N(O)C=O.[Na+]
InChIInChI=1S/C4H7NO4.Na/c1-3(4(7)8)5(9)2-6;/h2-3,9H,1H3,(H,7,8);/q;+1/p-1
InChIKeySRCCECZAEZWOJX-UHFFFAOYSA-M
MW155.08 g/mol
LogP-5.02
Rot. Bonds3

About sodium 2-[formyl(hydroxy)amino]propanoate

sodium 2-[formyl(hydroxy)amino]propanoate (PubChem CID 23691969) has the molecular formula C4H6NNaO4 and a molecular weight of 155.08 g/mol. Its IUPAC name is sodium 2-[formyl(hydroxy)amino]propanoate.

Molecular Properties

Compound Namesodium 2-[formyl(hydroxy)amino]propanoate
PubChem CID23691969
Molecular FormulaC4H6NNaO4
Molecular Weight155.08 g/mol
Exact Mass155.02
IUPAC Namesodium 2-[formyl(hydroxy)amino]propanoate
SMILESCC(C(=O)[O-])N(O)C=O.[Na+]
InChIInChI=1S/C4H7NO4.Na/c1-3(4(7)8)5(9)2-6;/h2-3,9H,1H3,(H,7,8);/q;+1/p-1
InChIKeySRCCECZAEZWOJX-UHFFFAOYSA-M
XLogP-5.02
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.08
LogP ≤ 5-5.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of sodium 2-[formyl(hydroxy)amino]propanoate?
The IUPAC name of sodium 2-[formyl(hydroxy)amino]propanoate (CID 23691969) is sodium 2-[formyl(hydroxy)amino]propanoate.
What is the SMILES notation for sodium 2-[formyl(hydroxy)amino]propanoate?
The canonical SMILES for sodium 2-[formyl(hydroxy)amino]propanoate is CC(C(=O)[O-])N(O)C=O.[Na+].
What is the InChIKey of sodium 2-[formyl(hydroxy)amino]propanoate?
The InChIKey is SRCCECZAEZWOJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO4.Na/c1-3(4(7)8)5(9)2-6;/h2-3,9H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2-[formyl(hydroxy)amino]propanoate?
sodium 2-[formyl(hydroxy)amino]propanoate has a molecular weight of 155.08 g/mol, XLogP of -5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[formyl(hydroxy)amino]propanoate is sourced from PubChem (CID 23691969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).