[2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid

C4H11N4O4P — CID 130231779

IUPAC[2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid
SMILES[H]/N=C(\N)N(C)CC(=O)OP(N)(=O)O
InChIInChI=1S/C4H11N4O4P/c1-8(4(5)6)2-3(9)12-13(7,10)11/h2H2,1H3,(H3,5,6)(H3,7,10,11)
InChIKeyFXZVSJVZQYLWOV-UHFFFAOYSA-N
MW210.13 g/mol
LogP-1.59
Rot. Bonds3

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

[2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid (PubChem CID 130231779) has the molecular formula C4H11N4O4P and a molecular weight of 210.13 g/mol. Its IUPAC name is [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid.

Molecular Properties

Compound Name[2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid
PubChem CID130231779
Molecular FormulaC4H11N4O4P
Molecular Weight210.13 g/mol
Exact Mass210.05
IUPAC Name[2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid
SMILES[H]/N=C(\N)N(C)CC(=O)OP(N)(=O)O
InChIInChI=1S/C4H11N4O4P/c1-8(4(5)6)2-3(9)12-13(7,10)11/h2H2,1H3,(H3,5,6)(H3,7,10,11)
InChIKeyFXZVSJVZQYLWOV-UHFFFAOYSA-N
XLogP-1.59
TPSA142.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 5-1.59
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'}

Analyze [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid?
The IUPAC name of [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid (CID 130231779) is [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid.
What is the SMILES notation for [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid?
The canonical SMILES for [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid is [H]/N=C(\N)N(C)CC(=O)OP(N)(=O)O.
What is the InChIKey of [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid?
The InChIKey is FXZVSJVZQYLWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N4O4P/c1-8(4(5)6)2-3(9)12-13(7,10)11/h2H2,1H3,(H3,5,6)(H3,7,10,11).
What are the key properties of [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid?
[2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid has a molecular weight of 210.13 g/mol, XLogP of -1.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[carbamimidoyl(methyl)amino]acetyl]oxyphosphonamidic acid is sourced from PubChem (CID 130231779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).