[2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid

C6H12N3O4P — CID 175025141

IUPAC[2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid
SMILES[H]/N=C(\N)N(C)CC(=O)OP(=O)(O)C=C
InChIInChI=1S/C6H12N3O4P/c1-3-14(11,12)13-5(10)4-9(2)6(7)8/h3H,1,4H2,2H3,(H3,7,8)(H,11,12)
InChIKeyXUUVAYFURGHRHQ-UHFFFAOYSA-N
MW221.15 g/mol
LogP-0.32
Rot. Bonds4

About [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid

[2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid (PubChem CID 175025141) has the molecular formula C6H12N3O4P and a molecular weight of 221.15 g/mol. Its IUPAC name is [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid.

Molecular Properties

Compound Name[2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid
PubChem CID175025141
Molecular FormulaC6H12N3O4P
Molecular Weight221.15 g/mol
Exact Mass221.06
IUPAC Name[2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid
SMILES[H]/N=C(\N)N(C)CC(=O)OP(=O)(O)C=C
InChIInChI=1S/C6H12N3O4P/c1-3-14(11,12)13-5(10)4-9(2)6(7)8/h3H,1,4H2,2H3,(H3,7,8)(H,11,12)
InChIKeyXUUVAYFURGHRHQ-UHFFFAOYSA-N
XLogP-0.32
TPSA116.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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

[2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid
CID 130231779
disodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate
CID 174547167
sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;dihydrate
CID 174834558
sodium;hydride;phosphono 2-[carbamimidoyl(methyl)amino]acetate;hexahydrate
CID 174834401
methylsulfanyl 2-[carbamimidoyl(methyl)amino]acetate
CID 123444259
[2-amino-3-[2-[carbamimidoyl(methyl)amino]acetyl]oxypropyl] 2-[carbamimidoyl(methyl)amino]acetate
CID 168759070
disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
CID 175418807
bis((E)-but-2-enedioic acid);tris(ethyl 2-[carbamimidoyl(methyl)amino]acetate)
CID 158592971
trisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);phosphate
CID 175308633
3-methylbutyl 2-[carbamimidoyl(methyl)amino]acetate
CID 163374484
2-[carbamimidoyl(methyl)amino]acetic acid;chromium
CID 174525318
ethane;1-methyl-1-(2-oxopropyl)guanidine
CID 143126704

Frequently Asked Questions

What is the IUPAC name of [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid?
The IUPAC name of [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid (CID 175025141) is [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid.
What is the SMILES notation for [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid?
The canonical SMILES for [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid is [H]/N=C(\N)N(C)CC(=O)OP(=O)(O)C=C.
What is the InChIKey of [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid?
The InChIKey is XUUVAYFURGHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N3O4P/c1-3-14(11,12)13-5(10)4-9(2)6(7)8/h3H,1,4H2,2H3,(H3,7,8)(H,11,12).
What are the key properties of [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid?
[2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid has a molecular weight of 221.15 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[carbamimidoyl(methyl)amino]acetyl]oxy-ethenylphosphinic acid is sourced from PubChem (CID 175025141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).