potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid

C7H13KN2O6 — CID 87238966

IUPACpotassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid
SMILESCNCC(=O)O.N[C@@H](CC(=O)O)C(=O)[O-].[K+]
InChIInChI=1S/C4H7NO4.C3H7NO2.K/c5-2(4(8)9)1-3(6)7;1-4-2-3(5)6;/h2H,1,5H2,(H,6,7)(H,8,9);4H,2H2,1H3,(H,5,6);/q;;+1/p-1/t2-;;/m0../s1
InChIKeyXXBPKJLJRSNEEH-JIZZDEOASA-M
MW260.29 g/mol
LogP-6.17
Rot. Bonds5

About potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid

potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid (PubChem CID 87238966) has the molecular formula C7H13KN2O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid.

Molecular Properties

Compound Namepotassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid
PubChem CID87238966
Molecular FormulaC7H13KN2O6
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Namepotassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid
SMILESCNCC(=O)O.N[C@@H](CC(=O)O)C(=O)[O-].[K+]
InChIInChI=1S/C4H7NO4.C3H7NO2.K/c5-2(4(8)9)1-3(6)7;1-4-2-3(5)6;/h2H,1,5H2,(H,6,7)(H,8,9);4H,2H2,1H3,(H,5,6);/q;;+1/p-1/t2-;;/m0../s1
InChIKeyXXBPKJLJRSNEEH-JIZZDEOASA-M
XLogP-6.17
TPSA152.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-6.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
magnesium;dipotassium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);bis((3S)-3-amino-4-hydroxy-4-oxobutanoate)
CID 138395383
magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)
CID 170852732
tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);bis(chromium(3+));triisothiocyanate
CID 173435867
tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))
CID 173192312
disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate
CID 131731808
2-aminobutanedioate;2-aminobutanedioic acid;zinc;hydrate
CID 159874937
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
disodium;acetic acid;(2S)-2-aminobutanedioate
CID 163675970
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276
2-aminobutanedioate
CID 4519554
calcium;2-aminobutanedioic acid;carbonate
CID 174334285

Frequently Asked Questions

What is the IUPAC name of potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid?
The IUPAC name of potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid (CID 87238966) is potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid.
What is the SMILES notation for potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid?
The canonical SMILES for potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid is CNCC(=O)O.N[C@@H](CC(=O)O)C(=O)[O-].[K+].
What is the InChIKey of potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid?
The InChIKey is XXBPKJLJRSNEEH-JIZZDEOASA-M. The full InChI is InChI=1S/C4H7NO4.C3H7NO2.K/c5-2(4(8)9)1-3(6)7;1-4-2-3(5)6;/h2H,1,5H2,(H,6,7)(H,8,9);4H,2H2,1H3,(H,5,6);/q;;+1/p-1/t2-;;/m0../s1.
What are the key properties of potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid?
potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid has a molecular weight of 260.29 g/mol, XLogP of -6.17, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid is sourced from PubChem (CID 87238966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).