L-Aspartic acid, monopotassium salt

C4H6KNO4 — CID 23672742

IUPACpotassium (2S)-2-amino-4-hydroxy-4-oxobutanoate
SMILESC([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. Bonds3

About L-Aspartic acid, monopotassium salt

L-Aspartic acid, monopotassium salt (PubChem CID 23672742) has the molecular formula C4H6KNO4 and a molecular weight of 171.19 g/mol. Its IUPAC name is potassium (2S)-2-amino-4-hydroxy-4-oxobutanoate.

Molecular Properties

Compound NameL-Aspartic acid, monopotassium salt
PubChem CID23672742
Molecular FormulaC4H6KNO4
Molecular Weight171.19 g/mol
Exact Mass170.99
IUPAC Namepotassium (2S)-2-amino-4-hydroxy-4-oxobutanoate
SMILESC([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—
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity137

Lipinski Rule of Five

Passes Rule of Five

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

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Related Compounds

L-Aspartic Acid
CID 5960
D-Aspartic Acid
CID 83887
(+-)-Aspartic Acid
CID 424
Magnesium Aspartate
CID 56841975
L-aspartate(1-)
CID 5460294
Calcium Aspartate
CID 30465
L-Aspartic acid, potassium salt (1:2)
CID 6454950
Zinc Aspartate
CID 56841018
Potassium Aspartate
CID 71586907
L-Aspartic acid, sodium salt (1:2)
CID 21806
Monosodium Aspartate
CID 23672344
Potassium L-aspartate
CID 23676147

Frequently Asked Questions

What is the IUPAC name of L-Aspartic acid, monopotassium salt?
The IUPAC name of L-Aspartic acid, monopotassium salt (CID 23672742) is potassium (2S)-2-amino-4-hydroxy-4-oxobutanoate.
What is the SMILES notation for L-Aspartic acid, monopotassium salt?
The canonical SMILES for L-Aspartic acid, monopotassium salt is C([C@@H](C(=O)[O-])N)C(=O)O.[K+].
What is the InChIKey of L-Aspartic acid, monopotassium salt?
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 L-Aspartic acid, monopotassium salt?
L-Aspartic acid, monopotassium salt has a molecular weight of 171.19 g/mol, XLogP of not available, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for L-Aspartic acid, monopotassium salt is sourced from PubChem (CID 23672742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).