dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate

C4H9K2N3O5P+ — CID 20844331

IUPACdipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate
SMILESCN(CC(=O)[O-])/C(N)=N\P(=O)(O)O.[K+].[K+]
InChIInChI=1S/C4H10N3O5P.2K/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-1
InChIKeySQOKPBMWFCQTDM-UHFFFAOYSA-M
MW288.30 g/mol
LogP-8.92
Rot. Bonds3

About dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate

dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate (PubChem CID 20844331) has the molecular formula C4H9K2N3O5P+ and a molecular weight of 288.30 g/mol. Its IUPAC name is dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate.

Molecular Properties

Compound Namedipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate
PubChem CID20844331
Molecular FormulaC4H9K2N3O5P+
Molecular Weight288.30 g/mol
Exact Mass287.95
IUPAC Namedipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate
SMILESCN(CC(=O)[O-])/C(N)=N\P(=O)(O)O.[K+].[K+]
InChIInChI=1S/C4H10N3O5P.2K/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-1
InChIKeySQOKPBMWFCQTDM-UHFFFAOYSA-M
XLogP-8.92
TPSA139.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-8.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate
CID 138395770
sodium;2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetate;hexahydrate
CID 127255859
sodium;2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetate;hexahydrate
CID 135742694
2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173060806
2-[(2-azaniumylacetyl)-methylamino]acetate
CID 6995175
sodium 2-(dimethylamino)acetate
CID 23695761
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
sodium 2-[methyl(sulfidocarbothioyl)amino]acetate
CID 102587922
potassium;azane;phosphoric acid;acetate
CID 175960503
ethyl 2-[[N'-[bis(2-ethoxycarbonyloxyethoxy)phosphoryl]carbamimidoyl]-methylamino]acetate
CID 154316355
disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate
CID 172550095
2-[carbamimidoyl(methyl)amino]acetic acid;3-hydroxy-4-(trimethylazaniumyl)butanoate;phosphoric acid
CID 174395686

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate?
The IUPAC name of dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate (CID 20844331) is dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate.
What is the SMILES notation for dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate?
The canonical SMILES for dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate is CN(CC(=O)[O-])/C(N)=N\P(=O)(O)O.[K+].[K+].
What is the InChIKey of dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate?
The InChIKey is SQOKPBMWFCQTDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N3O5P.2K/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-1.
What are the key properties of dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate?
dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate has a molecular weight of 288.30 g/mol, XLogP of -8.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate is sourced from PubChem (CID 20844331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).