disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate

C4H12N3Na2O5P — CID 174547167

IUPACdisodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate
SMILES[H-].[H-].[H]/N=C(\N)N(C)CC(=O)OP(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/C4H10N3O5P.2Na.2H/c1-7(4(5)6)2-3(8)12-13(9,10)11;;;;/h2H2,1H3,(H3,5,6)(H2,9,10,11);;;;/q;2*+1;2*-1
InChIKeyLLHVIQCGZTYFGS-UHFFFAOYSA-N
MW259.11 g/mol
LogP-7.32
Rot. Bonds3

About disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate

disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate (PubChem CID 174547167) has the molecular formula C4H12N3Na2O5P and a molecular weight of 259.11 g/mol. Its IUPAC name is disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate.

Molecular Properties

Compound Namedisodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate
PubChem CID174547167
Molecular FormulaC4H12N3Na2O5P
Molecular Weight259.11 g/mol
Exact Mass259.03
IUPAC Namedisodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate
SMILES[H-].[H-].[H]/N=C(\N)N(C)CC(=O)OP(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/C4H10N3O5P.2Na.2H/c1-7(4(5)6)2-3(8)12-13(9,10)11;;;;/h2H2,1H3,(H3,5,6)(H2,9,10,11);;;;/q;2*+1;2*-1
InChIKeyLLHVIQCGZTYFGS-UHFFFAOYSA-N
XLogP-7.32
TPSA136.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 5-7.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;dihydrate
CID 174834558
sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate
CID 174834401
[2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid
CID 130231779
[2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid
CID 175025141
disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
CID 175418807
trisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);phosphate
CID 175308633
methylsulfanyl 2-[carbamimidoyl(methyl)amino]acetate
CID 123444259
[2-amino-3-[2-[carbamimidoyl(methyl)amino]acetyl]oxypropyl] 2-[carbamimidoyl(methyl)amino]acetate
CID 168759070
potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
CID 173111942
sodium;[2-[carbamimidoyl(methyl)amino]acetyl] dodecanoate;hydride
CID 174417342
3-methylbutyl 2-[carbamimidoyl(methyl)amino]acetate
CID 163374484
2-[carbamimidoyl(methyl)amino]acetic acid;chromium
CID 174525318

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate?
The IUPAC name of disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate (CID 174547167) is disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate.
What is the SMILES notation for disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate?
The canonical SMILES for disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate is [H-].[H-].[H]/N=C(\N)N(C)CC(=O)OP(=O)(O)O.[Na+].[Na+].
What is the InChIKey of disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate?
The InChIKey is LLHVIQCGZTYFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N3O5P.2Na.2H/c1-7(4(5)6)2-3(8)12-13(9,10)11;;;;/h2H2,1H3,(H3,5,6)(H2,9,10,11);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate?
disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate has a molecular weight of 259.11 g/mol, XLogP of -7.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate is sourced from PubChem (CID 174547167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).