2-aminooxy-2-oxoacetic acid;propanoic acid

C5H9NO6 — CID 174645946

IUPAC2-aminooxy-2-oxoacetic acid;propanoic acid
SMILESCCC(=O)O.NOC(=O)C(=O)O
InChIInChI=1S/C3H6O2.C2H3NO4/c1-2-3(4)5;3-7-2(6)1(4)5/h2H2,1H3,(H,4,5);3H2,(H,4,5)
InChIKeyNKOWQSBPFZOAAX-UHFFFAOYSA-N
MW179.13 g/mol
LogP-1.03
Rot. Bonds1

About 2-aminooxy-2-oxoacetic acid;propanoic acid

2-aminooxy-2-oxoacetic acid;propanoic acid (PubChem CID 174645946) has the molecular formula C5H9NO6 and a molecular weight of 179.13 g/mol. Its IUPAC name is 2-aminooxy-2-oxoacetic acid;propanoic acid.

Molecular Properties

Compound Name2-aminooxy-2-oxoacetic acid;propanoic acid
PubChem CID174645946
Molecular FormulaC5H9NO6
Molecular Weight179.13 g/mol
Exact Mass179.04
IUPAC Name2-aminooxy-2-oxoacetic acid;propanoic acid
SMILESCCC(=O)O.NOC(=O)C(=O)O
InChIInChI=1S/C3H6O2.C2H3NO4/c1-2-3(4)5;3-7-2(6)1(4)5/h2H2,1H3,(H,4,5);3H2,(H,4,5)
InChIKeyNKOWQSBPFZOAAX-UHFFFAOYSA-N
XLogP-1.03
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 2-aminooxy-2-oxoacetic acid;propanoic acid?
The IUPAC name of 2-aminooxy-2-oxoacetic acid;propanoic acid (CID 174645946) is 2-aminooxy-2-oxoacetic acid;propanoic acid.
What is the SMILES notation for 2-aminooxy-2-oxoacetic acid;propanoic acid?
The canonical SMILES for 2-aminooxy-2-oxoacetic acid;propanoic acid is CCC(=O)O.NOC(=O)C(=O)O.
What is the InChIKey of 2-aminooxy-2-oxoacetic acid;propanoic acid?
The InChIKey is NKOWQSBPFZOAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H3NO4/c1-2-3(4)5;3-7-2(6)1(4)5/h2H2,1H3,(H,4,5);3H2,(H,4,5).
What are the key properties of 2-aminooxy-2-oxoacetic acid;propanoic acid?
2-aminooxy-2-oxoacetic acid;propanoic acid has a molecular weight of 179.13 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-2-oxoacetic acid;propanoic acid is sourced from PubChem (CID 174645946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).