dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate

C8H14K2N2O9 — CID 71586907

IUPACdipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].O.[H+].[H+].[K+].[K+]
InChIInChI=1S/2C4H7NO4.2K.H2O/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;1H2/q;;2*+1;/p-2/t2*2-;;;/m00.../s1
InChIKeyYKZPPPNXRZHVGX-PXYKVGKMSA-L
MW360.40 g/mol
LogP-14.18
Rot. Bonds6

About dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate

dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate (PubChem CID 71586907) has the molecular formula C8H14K2N2O9 and a molecular weight of 360.40 g/mol. Its IUPAC name is dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate.

Molecular Properties

Compound Namedipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate
PubChem CID71586907
Molecular FormulaC8H14K2N2O9
Molecular Weight360.40 g/mol
Exact Mass360.00
IUPAC Namedipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].O.[H+].[H+].[K+].[K+]
InChIInChI=1S/2C4H7NO4.2K.H2O/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;1H2/q;;2*+1;/p-2/t2*2-;;;/m00.../s1
InChIKeyYKZPPPNXRZHVGX-PXYKVGKMSA-L
XLogP-14.18
TPSA244.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 5-14.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate?
The IUPAC name of dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate (CID 71586907) is dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate.
What is the SMILES notation for dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate?
The canonical SMILES for dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate is N[C@@H](CC(=O)[O-])C(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].O.[H+].[H+].[K+].[K+].
What is the InChIKey of dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate?
The InChIKey is YKZPPPNXRZHVGX-PXYKVGKMSA-L. The full InChI is InChI=1S/2C4H7NO4.2K.H2O/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;1H2/q;;2*+1;/p-2/t2*2-;;;/m00.../s1.
What are the key properties of dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate?
dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate has a molecular weight of 360.40 g/mol, XLogP of -14.18, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bis((2S)-2-aminobutanedioate);hydron;hydrate is sourced from PubChem (CID 71586907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).