potassium 4-amino-3-hydroxy-4-oxobutanoate

C4H6KNO4 — CID 75480412

IUPACpotassium 4-amino-3-hydroxy-4-oxobutanoate
SMILESNC(=O)C(O)CC(=O)[O-].[K+]
InChIInChI=1S/C4H7NO4.K/c5-4(9)2(6)1-3(7)8;/h2,6H,1H2,(H2,5,9)(H,7,8);/q;+1/p-1
InChIKeyBZVWIGPCQZSKSA-UHFFFAOYSA-M
MW171.19 g/mol
LogP-6.02
Rot. Bonds3

About potassium 4-amino-3-hydroxy-4-oxobutanoate

potassium 4-amino-3-hydroxy-4-oxobutanoate (PubChem CID 75480412) has the molecular formula C4H6KNO4 and a molecular weight of 171.19 g/mol. Its IUPAC name is potassium 4-amino-3-hydroxy-4-oxobutanoate.

Molecular Properties

Compound Namepotassium 4-amino-3-hydroxy-4-oxobutanoate
PubChem CID75480412
Molecular FormulaC4H6KNO4
Molecular Weight171.19 g/mol
Exact Mass170.99
IUPAC Namepotassium 4-amino-3-hydroxy-4-oxobutanoate
SMILESNC(=O)C(O)CC(=O)[O-].[K+]
InChIInChI=1S/C4H7NO4.K/c5-4(9)2(6)1-3(7)8;/h2,6H,1H2,(H2,5,9)(H,7,8);/q;+1/p-1
InChIKeyBZVWIGPCQZSKSA-UHFFFAOYSA-M
XLogP-6.02
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 5-6.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

disilver;2-hydroxybutanedioate
CID 14299093
tris(2-hydroxybutanedioate);bis(yttrium(3+))
CID 173103435
disodium;(2S)-2-hydroxybutanedioate
CID 6097189
tris(2-hydroxybutanedioate);bis(terbium(3+))
CID 173160363
cadmium(2+);2-hydroxybutanedioate
CID 87607349
azanium;sodium;(2S)-2-hydroxybutanedioate
CID 141157633
sodium 3,4-dihydroxy-4-oxobutanoate
CID 23678821
2-hydroxybutanedioate;oxozirconium(2+)
CID 87184139
sodium (3S)-3,4-dihydroxy-4-oxobutanoate
CID 24802275
calcium;hydron;bis(2-hydroxybutanedioate)
CID 165411854
2-hydroxy-4-oxopentanamide
CID 54002232
sodium;2-hydroxybutanedioate;dihydrate
CID 22761792

Frequently Asked Questions

What is the IUPAC name of potassium 4-amino-3-hydroxy-4-oxobutanoate?
The IUPAC name of potassium 4-amino-3-hydroxy-4-oxobutanoate (CID 75480412) is potassium 4-amino-3-hydroxy-4-oxobutanoate.
What is the SMILES notation for potassium 4-amino-3-hydroxy-4-oxobutanoate?
The canonical SMILES for potassium 4-amino-3-hydroxy-4-oxobutanoate is NC(=O)C(O)CC(=O)[O-].[K+].
What is the InChIKey of potassium 4-amino-3-hydroxy-4-oxobutanoate?
The InChIKey is BZVWIGPCQZSKSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO4.K/c5-4(9)2(6)1-3(7)8;/h2,6H,1H2,(H2,5,9)(H,7,8);/q;+1/p-1.
What are the key properties of potassium 4-amino-3-hydroxy-4-oxobutanoate?
potassium 4-amino-3-hydroxy-4-oxobutanoate has a molecular weight of 171.19 g/mol, XLogP of -6.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-amino-3-hydroxy-4-oxobutanoate is sourced from PubChem (CID 75480412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).