potassium;(2S)-2-aminobutanedioate;hydron

C4H6KNO4 — CID 76958213

IUPACpotassium;(2S)-2-aminobutanedioate;hydron
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].[H+].[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-6.68
Rot. Bonds3

About potassium;(2S)-2-aminobutanedioate;hydron

potassium;(2S)-2-aminobutanedioate;hydron (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;(2S)-2-aminobutanedioate;hydron
PubChem CID76958213
Molecular FormulaC4H6KNO4
Molecular Weight171.19 g/mol
Exact Mass170.99
IUPAC Namepotassium;(2S)-2-aminobutanedioate;hydron
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].[H+].[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-6.68
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 5-6.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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;(2S)-2-aminobutanedioate;hydron?
The IUPAC name of potassium;(2S)-2-aminobutanedioate;hydron (CID 76958213) is potassium;(2S)-2-aminobutanedioate;hydron.
What is the SMILES notation for potassium;(2S)-2-aminobutanedioate;hydron?
The canonical SMILES for potassium;(2S)-2-aminobutanedioate;hydron is N[C@@H](CC(=O)[O-])C(=O)[O-].[H+].[K+].
What is the InChIKey of potassium;(2S)-2-aminobutanedioate;hydron?
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;(2S)-2-aminobutanedioate;hydron?
potassium;(2S)-2-aminobutanedioate;hydron has a molecular weight of 171.19 g/mol, XLogP of -6.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2S)-2-aminobutanedioate;hydron is sourced from PubChem (CID 76958213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).