potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate

C4H6KNO4 — CID 23676147

IUPACpotassium (3S)-3-amino-4-hydroxy-4-oxobutanoate
SMILESN[C@@H](CC(=O)[O-])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-5.46
Rot. Bonds3

About potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate

potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate (PubChem CID 23676147) has the molecular formula C4H6KNO4 and a molecular weight of 171.19 g/mol. Its IUPAC name is potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate.

Molecular Properties

Compound Namepotassium (3S)-3-amino-4-hydroxy-4-oxobutanoate
PubChem CID23676147
Molecular FormulaC4H6KNO4
Molecular Weight171.19 g/mol
Exact Mass170.99
IUPAC Namepotassium (3S)-3-amino-4-hydroxy-4-oxobutanoate
SMILESN[C@@H](CC(=O)[O-])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-5.46
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 ≤ 5-5.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
L-Aspartic acid, monopotassium salt
CID 23672742

Frequently Asked Questions

What is the IUPAC name of potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate?
The IUPAC name of potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate (CID 23676147) is potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate.
What is the SMILES notation for potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate?
The canonical SMILES for potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate is N[C@@H](CC(=O)[O-])C(=O)O.[K+].
What is the InChIKey of potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate?
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 (3S)-3-amino-4-hydroxy-4-oxobutanoate?
potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate has a molecular weight of 171.19 g/mol, XLogP of -5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3S)-3-amino-4-hydroxy-4-oxobutanoate is sourced from PubChem (CID 23676147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).