dipotassium;2-(diaminomethylideneamino)butanedioate

C5H7K2N3O4 — CID 169227239

IUPACdipotassium;2-(diaminomethylideneamino)butanedioate
SMILESNC(N)=NC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H9N3O4.2K/c6-5(7)8-2(4(11)12)1-3(9)10;;/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8);;/q;2*+1/p-2
InChIKeyKMBKUWCPAGENKG-UHFFFAOYSA-L
MW251.32 g/mol
LogP-10.47
Rot. Bonds4

About dipotassium;2-(diaminomethylideneamino)butanedioate

dipotassium;2-(diaminomethylideneamino)butanedioate (PubChem CID 169227239) has the molecular formula C5H7K2N3O4 and a molecular weight of 251.32 g/mol. Its IUPAC name is dipotassium;2-(diaminomethylideneamino)butanedioate.

Molecular Properties

Compound Namedipotassium;2-(diaminomethylideneamino)butanedioate
PubChem CID169227239
Molecular FormulaC5H7K2N3O4
Molecular Weight251.32 g/mol
Exact Mass250.97
IUPAC Namedipotassium;2-(diaminomethylideneamino)butanedioate
SMILESNC(N)=NC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H9N3O4.2K/c6-5(7)8-2(4(11)12)1-3(9)10;;/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8);;/q;2*+1/p-2
InChIKeyKMBKUWCPAGENKG-UHFFFAOYSA-L
XLogP-10.47
TPSA144.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 5-10.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

sodium (2S)-5-amino-2-(diaminomethylideneamino)-5-oxopentanoate
CID 142705344
sodium (2S)-5-amino-2-[[amino-(deuterioamino)methylidene]amino]-5-oxopentanoate
CID 142705346
potassium 4-amino-3-hydroxy-4-oxobutanoate
CID 75480412
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
dipotassium;sodium;2-(carboxylatomethoxy)butanedioate
CID 172785567
2-aminobutanedioate
CID 4519554
(2R)-2-amino-3-fluoropentanedioate
CID 166640231
CID 21127296
CID 21127296
(2S)-2-aminobutanedioate;silver
CID 87272123
disodium;2-aminobutanedioate
CID 172873588
dicesium;(2S)-2-aminobutanedioate
CID 11639845
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(diaminomethylideneamino)butanedioate?
The IUPAC name of dipotassium;2-(diaminomethylideneamino)butanedioate (CID 169227239) is dipotassium;2-(diaminomethylideneamino)butanedioate.
What is the SMILES notation for dipotassium;2-(diaminomethylideneamino)butanedioate?
The canonical SMILES for dipotassium;2-(diaminomethylideneamino)butanedioate is NC(N)=NC(CC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-(diaminomethylideneamino)butanedioate?
The InChIKey is KMBKUWCPAGENKG-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H9N3O4.2K/c6-5(7)8-2(4(11)12)1-3(9)10;;/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-(diaminomethylideneamino)butanedioate?
dipotassium;2-(diaminomethylideneamino)butanedioate has a molecular weight of 251.32 g/mol, XLogP of -10.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-(diaminomethylideneamino)butanedioate is sourced from PubChem (CID 169227239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).