2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid

C4H10N3O5P — CID 5359254

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IUPAC2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid
SMILESCN(CC(=O)O)/C(N)=N\P(=O)(O)O
InChIInChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
InChIKeyDRBBFCLWYRJSJZ-UHFFFAOYSA-N
MW211.11 g/mol
LogP-1.59
Rot. Bonds3

About 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid

2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid (PubChem CID 5359254) has the molecular formula C4H10N3O5P and a molecular weight of 211.11 g/mol. Its IUPAC name is 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid
PubChem CID5359254
Molecular FormulaC4H10N3O5P
Molecular Weight211.11 g/mol
Exact Mass211.04
IUPAC Name2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid
SMILESCN(CC(=O)O)/C(N)=N\P(=O)(O)O
InChIInChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
InChIKeyDRBBFCLWYRJSJZ-UHFFFAOYSA-N
XLogP-1.59
TPSA136.45 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid (CID 5359254) is 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid is CN(CC(=O)O)/C(N)=N\P(=O)(O)O.
What is the InChIKey of 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid?
The InChIKey is DRBBFCLWYRJSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12).
What are the key properties of 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid?
2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid has a molecular weight of 211.11 g/mol, XLogP of -1.59, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetic acid is sourced from PubChem (CID 5359254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).