potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate

C4H6KNO6 — CID 174636110

IUPACpotassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
SMILESNOC(=O)C(O)C(O)C(=O)[O-].[K+]
InChIInChI=1S/C4H7NO6.K/c5-11-4(10)2(7)1(6)3(8)9;/h1-2,6-7H,5H2,(H,8,9);/q;+1/p-1
InChIKeyBMEBDGCUPVHVMY-UHFFFAOYSA-M
MW203.19 g/mol
LogP-7.12
Rot. Bonds3

About potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate

potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate (PubChem CID 174636110) has the molecular formula C4H6KNO6 and a molecular weight of 203.19 g/mol. Its IUPAC name is potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate.

Molecular Properties

Compound Namepotassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
PubChem CID174636110
Molecular FormulaC4H6KNO6
Molecular Weight203.19 g/mol
Exact Mass202.98
IUPAC Namepotassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
SMILESNOC(=O)C(O)C(O)C(=O)[O-].[K+]
InChIInChI=1S/C4H7NO6.K/c5-11-4(10)2(7)1(6)3(8)9;/h1-2,6-7H,5H2,(H,8,9);/q;+1/p-1
InChIKeyBMEBDGCUPVHVMY-UHFFFAOYSA-M
XLogP-7.12
TPSA132.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-7.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid
CID 89355402
potassium;2,3-dihydroxybutanedioate;zirconium(2+)
CID 19373860
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
CID 90471392
2,3-dihydroxybutanedioate
CID 19608871
tetraaluminum;tris(2,3-dihydroxybutanedioate);oxalate
CID 21451236
potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
CID 23707960
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate
CID 173395440
copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
CID 175450123
azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
CID 160595070

Frequently Asked Questions

What is the IUPAC name of potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate?
The IUPAC name of potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate (CID 174636110) is potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate.
What is the SMILES notation for potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate?
The canonical SMILES for potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate is NOC(=O)C(O)C(O)C(=O)[O-].[K+].
What is the InChIKey of potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate?
The InChIKey is BMEBDGCUPVHVMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO6.K/c5-11-4(10)2(7)1(6)3(8)9;/h1-2,6-7H,5H2,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate?
potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate has a molecular weight of 203.19 g/mol, XLogP of -7.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate is sourced from PubChem (CID 174636110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).