dipotassium;(2S)-2-aminobutanedioate

C4H5K2NO4 — CID 6454950

IUPACdipotassium;(2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H7NO4.2K/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKeyIKALZAKZWHFNIC-JIZZDEOASA-L
MW209.28 g/mol
LogP-9.79
Rot. Bonds3

About dipotassium;(2S)-2-aminobutanedioate

dipotassium;(2S)-2-aminobutanedioate (PubChem CID 6454950) has the molecular formula C4H5K2NO4 and a molecular weight of 209.28 g/mol. Its IUPAC name is dipotassium;(2S)-2-aminobutanedioate.

Molecular Properties

Compound Namedipotassium;(2S)-2-aminobutanedioate
PubChem CID6454950
Molecular FormulaC4H5K2NO4
Molecular Weight209.28 g/mol
Exact Mass208.95
IUPAC Namedipotassium;(2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H7NO4.2K/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKeyIKALZAKZWHFNIC-JIZZDEOASA-L
XLogP-9.79
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 5-9.79
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
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
Potassium hydrogen aspartate
CID 76958213
l-aspartic acid, sodium salt
CID 5460541

Frequently Asked Questions

What is the IUPAC name of dipotassium;(2S)-2-aminobutanedioate?
The IUPAC name of dipotassium;(2S)-2-aminobutanedioate (CID 6454950) is dipotassium;(2S)-2-aminobutanedioate.
What is the SMILES notation for dipotassium;(2S)-2-aminobutanedioate?
The canonical SMILES for dipotassium;(2S)-2-aminobutanedioate is N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;(2S)-2-aminobutanedioate?
The InChIKey is IKALZAKZWHFNIC-JIZZDEOASA-L. The full InChI is InChI=1S/C4H7NO4.2K/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1.
What are the key properties of dipotassium;(2S)-2-aminobutanedioate?
dipotassium;(2S)-2-aminobutanedioate has a molecular weight of 209.28 g/mol, XLogP of -9.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2S)-2-aminobutanedioate is sourced from PubChem (CID 6454950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).