dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate

C11H20K2N2O7 — CID 131716200

IUPACdipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
SMILESC[N+](C)(C)C[C@H](O)CC(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C7H15NO3.C4H7NO4.2K/c1-8(2,3)5-6(9)4-7(10)11;5-2(4(8)9)1-3(6)7;;/h6,9H,4-5H2,1-3H3;2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2/t6-;2-;;/m10../s1
InChIKeyMNLCIVDGVBHVDA-AYIQUQOMSA-L
MW370.48 g/mol
LogP-11.59
Rot. Bonds7

About dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate

dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate (PubChem CID 131716200) has the molecular formula C11H20K2N2O7 and a molecular weight of 370.48 g/mol. Its IUPAC name is dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate.

Molecular Properties

Compound Namedipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
PubChem CID131716200
Molecular FormulaC11H20K2N2O7
Molecular Weight370.48 g/mol
Exact Mass370.05
IUPAC Namedipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
SMILESC[N+](C)(C)C[C@H](O)CC(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C7H15NO3.C4H7NO4.2K/c1-8(2,3)5-6(9)4-7(10)11;5-2(4(8)9)1-3(6)7;;/h6,9H,4-5H2,1-3H3;2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2/t6-;2-;;/m10../s1
InChIKeyMNLCIVDGVBHVDA-AYIQUQOMSA-L
XLogP-11.59
TPSA166.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-11.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dicesium;(2S)-2-aminobutanedioate
CID 11639845
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
2-aminobutanedioate
CID 4519554
disodium;2-aminobutanedioate
CID 172873588
CID 21127296
CID 21127296
(2S)-2-aminobutanedioate;silver
CID 87272123
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
(2S)-2,5-diamino-5-oxopentanoic acid;3-hydroxy-4-(trimethylazaniumyl)butanoate
CID 87324443
2-aminopentanedioic acid;3-hydroxy-4-(trimethylazaniumyl)butanoate;hydrochloride
CID 174390447
magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
CID 140602404

Frequently Asked Questions

What is the IUPAC name of dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate?
The IUPAC name of dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate (CID 131716200) is dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate.
What is the SMILES notation for dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate?
The canonical SMILES for dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate is C[N+](C)(C)C[C@H](O)CC(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate?
The InChIKey is MNLCIVDGVBHVDA-AYIQUQOMSA-L. The full InChI is InChI=1S/C7H15NO3.C4H7NO4.2K/c1-8(2,3)5-6(9)4-7(10)11;5-2(4(8)9)1-3(6)7;;/h6,9H,4-5H2,1-3H3;2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2/t6-;2-;;/m10../s1.
What are the key properties of dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate?
dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate has a molecular weight of 370.48 g/mol, XLogP of -11.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2S)-2-aminobutanedioate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate is sourced from PubChem (CID 131716200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).