disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate

C8H19N6Na2O8P — CID 175418807

IUPACdisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
SMILESO=P([O-])([O-])O.[H]/N=C(\N)N(C)CC(=O)O.[H]/N=C(\N)N(C)CC(=O)O.[Na+].[Na+]
InChIInChI=1S/2C4H9N3O2.2Na.H3O4P/c2*1-7(4(5)6)2-3(8)9;;;1-5(2,3)4/h2*2H2,1H3,(H3,5,6)(H,8,9);;;(H3,1,2,3,4)/q;;2*+1;/p-2
InChIKeyLIVBVRQTNHCEIM-UHFFFAOYSA-L
MW404.23 g/mol
LogP-10.39
Rot. Bonds4

About disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate

disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate (PubChem CID 175418807) has the molecular formula C8H19N6Na2O8P and a molecular weight of 404.23 g/mol. Its IUPAC name is disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate.

Molecular Properties

Compound Namedisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
PubChem CID175418807
Molecular FormulaC8H19N6Na2O8P
Molecular Weight404.23 g/mol
Exact Mass404.08
IUPAC Namedisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
SMILESO=P([O-])([O-])O.[H]/N=C(\N)N(C)CC(=O)O.[H]/N=C(\N)N(C)CC(=O)O.[Na+].[Na+]
InChIInChI=1S/2C4H9N3O2.2Na.H3O4P/c2*1-7(4(5)6)2-3(8)9;;;1-5(2,3)4/h2*2H2,1H3,(H3,5,6)(H,8,9);;;(H3,1,2,3,4)/q;;2*+1;/p-2
InChIKeyLIVBVRQTNHCEIM-UHFFFAOYSA-L
XLogP-10.39
TPSA264.24 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.23
LogP ≤ 5-10.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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'}

Analyze disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);phosphate
CID 175308633
2-[carbamimidoyl(methyl)amino]acetic acid;chromium
CID 174525318
2-[carbamimidoyl(methyl)amino]acetic acid;carbonic acid
CID 87214776
potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
CID 173111942
sodium;2-[carbamimidoyl(methyl)amino]acetic acid;2-oxopropanoate
CID 23721155
2-[carbamimidoyl(methyl)amino]acetic acid;propanedioic acid
CID 139530070
2-[carbamimidoyl(methyl)amino]acetic acid;formic acid
CID 10285829
2-[carbamimidoyl(methyl)amino]acetic acid;3-hydroxy-4-(trimethylazaniumyl)butanoate;phosphoric acid
CID 174395686
disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate
CID 174547167
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioic acid
CID 10355479
2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 10286051
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate
CID 171391165

Frequently Asked Questions

What is the IUPAC name of disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate?
The IUPAC name of disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate (CID 175418807) is disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate.
What is the SMILES notation for disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate?
The canonical SMILES for disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate is O=P([O-])([O-])O.[H]/N=C(\N)N(C)CC(=O)O.[H]/N=C(\N)N(C)CC(=O)O.[Na+].[Na+].
What is the InChIKey of disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate?
The InChIKey is LIVBVRQTNHCEIM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H9N3O2.2Na.H3O4P/c2*1-7(4(5)6)2-3(8)9;;;1-5(2,3)4/h2*2H2,1H3,(H3,5,6)(H,8,9);;;(H3,1,2,3,4)/q;;2*+1;/p-2.
What are the key properties of disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate?
disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate has a molecular weight of 404.23 g/mol, XLogP of -10.39, 4 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate is sourced from PubChem (CID 175418807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).