Potassium hydrogen aspartate

C4H6KNO4 — CID 76958213

IUPACpotassium;(2S)-2-aminobutanedioate;hydron
SMILES[H+].C([C@@H](C(=O)[O-])N)C(=O)[O-].[K+]
InChIInChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
InChIKeyTXXVQZSTAVIHFD-DKWTVANSSA-M
MW171.19 g/mol
LogP—
Rot. Bonds1

About Potassium hydrogen aspartate

Potassium hydrogen aspartate (PubChem CID 76958213) has the molecular formula C4H6KNO4 and a molecular weight of 171.19 g/mol. Its IUPAC name is potassium;(2S)-2-aminobutanedioate;hydron.

Molecular Properties

Compound NamePotassium hydrogen aspartate
PubChem CID76958213
Molecular FormulaC4H6KNO4
Molecular Weight171.19 g/mol
Exact Mass170.99
IUPAC Namepotassium;(2S)-2-aminobutanedioate;hydron
SMILES[H+].C([C@@H](C(=O)[O-])N)C(=O)[O-].[K+]
InChIInChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
InChIKeyTXXVQZSTAVIHFD-DKWTVANSSA-M
XLogP—
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity122

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze Potassium hydrogen aspartate 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

L-Aspartic Acid
CID 5960
D-Aspartic Acid
CID 83887
(+-)-Aspartic Acid
CID 424
L-aspartate(1-)
CID 5460294
Calcium Aspartate
CID 30465
L-Aspartic acid, potassium salt (1:2)
CID 6454950
Potassium Aspartate
CID 71586907
L-Aspartic acid, sodium salt (1:2)
CID 21806
Monosodium Aspartate
CID 23672344
L-Aspartic acid, monopotassium salt
CID 23672742
Potassium L-aspartate
CID 23676147
l-aspartic acid, sodium salt
CID 5460541

Frequently Asked Questions

What is the IUPAC name of Potassium hydrogen aspartate?
The IUPAC name of Potassium hydrogen aspartate (CID 76958213) is potassium;(2S)-2-aminobutanedioate;hydron.
What is the SMILES notation for Potassium hydrogen aspartate?
The canonical SMILES for Potassium hydrogen aspartate is [H+].C([C@@H](C(=O)[O-])N)C(=O)[O-].[K+].
What is the InChIKey of Potassium hydrogen aspartate?
The InChIKey is TXXVQZSTAVIHFD-DKWTVANSSA-M. The full InChI is InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1.
What are the key properties of Potassium hydrogen aspartate?
Potassium hydrogen aspartate has a molecular weight of 171.19 g/mol, XLogP of not available, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Potassium hydrogen aspartate is sourced from PubChem (CID 76958213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).