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

C4H23N3NaO11P — CID 174834401

IUPACsodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate
SMILESO.O.O.O.O.O.[H-].[H]/N=C(\N)N(C)CC(=O)OP(=O)(O)O.[Na+]
InChIInChI=1S/C4H10N3O5P.Na.6H2O.H/c1-7(4(5)6)2-3(8)12-13(9,10)11;;;;;;;;/h2H2,1H3,(H3,5,6)(H2,9,10,11);;6*1H2;/q;+1;;;;;;;-1
InChIKeyKMOZUZBHKHITGK-UHFFFAOYSA-N
MW343.20 g/mol
LogP-9.38
Rot. Bonds3

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

sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate (PubChem CID 174834401) has the molecular formula C4H23N3NaO11P and a molecular weight of 343.20 g/mol. Its IUPAC name is sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate.

Molecular Properties

Compound Namesodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate
PubChem CID174834401
Molecular FormulaC4H23N3NaO11P
Molecular Weight343.20 g/mol
Exact Mass343.10
IUPAC Namesodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate
SMILESO.O.O.O.O.O.[H-].[H]/N=C(\N)N(C)CC(=O)OP(=O)(O)O.[Na+]
InChIInChI=1S/C4H10N3O5P.Na.6H2O.H/c1-7(4(5)6)2-3(8)12-13(9,10)11;;;;;;;;/h2H2,1H3,(H3,5,6)(H2,9,10,11);;6*1H2;/q;+1;;;;;;;-1
InChIKeyKMOZUZBHKHITGK-UHFFFAOYSA-N
XLogP-9.38
TPSA325.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 5-9.38
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
disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate
CID 174547167
[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 sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate?
The IUPAC name of sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate (CID 174834401) is sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate.
What is the SMILES notation for sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate?
The canonical SMILES for sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate is O.O.O.O.O.O.[H-].[H]/N=C(\N)N(C)CC(=O)OP(=O)(O)O.[Na+].
What is the InChIKey of sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate?
The InChIKey is KMOZUZBHKHITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N3O5P.Na.6H2O.H/c1-7(4(5)6)2-3(8)12-13(9,10)11;;;;;;;;/h2H2,1H3,(H3,5,6)(H2,9,10,11);;6*1H2;/q;+1;;;;;;;-1.
What are the key properties of sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate?
sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate has a molecular weight of 343.20 g/mol, XLogP of -9.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate is sourced from PubChem (CID 174834401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).