[[amino(formamido)methylidene]amino]phosphonic acid

C2H6N3O4P — CID 174529045

IUPAC[[amino(formamido)methylidene]amino]phosphonic acid
SMILESNC(=NP(=O)(O)O)NC=O
InChIInChI=1S/C2H6N3O4P/c3-2(4-1-6)5-10(7,8)9/h1H,(H5,3,4,5,6,7,8,9)
InChIKeyJTUXQUBXJWXUER-UHFFFAOYSA-N
MW167.06 g/mol
LogP-1.86
Rot. Bonds2

About [[amino(formamido)methylidene]amino]phosphonic acid

[[amino(formamido)methylidene]amino]phosphonic acid (PubChem CID 174529045) has the molecular formula C2H6N3O4P and a molecular weight of 167.06 g/mol. Its IUPAC name is [[amino(formamido)methylidene]amino]phosphonic acid.

Molecular Properties

Compound Name[[amino(formamido)methylidene]amino]phosphonic acid
PubChem CID174529045
Molecular FormulaC2H6N3O4P
Molecular Weight167.06 g/mol
Exact Mass167.01
IUPAC Name[[amino(formamido)methylidene]amino]phosphonic acid
SMILESNC(=NP(=O)(O)O)NC=O
InChIInChI=1S/C2H6N3O4P/c3-2(4-1-6)5-10(7,8)9/h1H,(H5,3,4,5,6,7,8,9)
InChIKeyJTUXQUBXJWXUER-UHFFFAOYSA-N
XLogP-1.86
TPSA125.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.06
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

[[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid
CID 174340623
N-(N'-tert-butylcarbamimidoyl)formamide
CID 58320078
N-(N'-ethylcarbamimidoyl)formamide
CID 71416538
N-carbamoylformamide;hydrate
CID 174813959
N-(N'-butoxycarbamimidoyl)formamide
CID 135985100
aminophosphonic acid;rhenium
CID 174387588
dipotassium;2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate
CID 20844331
CID 131878072
CID 131878072
sodium 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate
CID 138395770
sodium;2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetate;hexahydrate
CID 127255859
sodium;2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetate;hexahydrate
CID 135742694
butanedial;phosphoric acid
CID 138592016

Frequently Asked Questions

What is the IUPAC name of [[amino(formamido)methylidene]amino]phosphonic acid?
The IUPAC name of [[amino(formamido)methylidene]amino]phosphonic acid (CID 174529045) is [[amino(formamido)methylidene]amino]phosphonic acid.
What is the SMILES notation for [[amino(formamido)methylidene]amino]phosphonic acid?
The canonical SMILES for [[amino(formamido)methylidene]amino]phosphonic acid is NC(=NP(=O)(O)O)NC=O.
What is the InChIKey of [[amino(formamido)methylidene]amino]phosphonic acid?
The InChIKey is JTUXQUBXJWXUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N3O4P/c3-2(4-1-6)5-10(7,8)9/h1H,(H5,3,4,5,6,7,8,9).
What are the key properties of [[amino(formamido)methylidene]amino]phosphonic acid?
[[amino(formamido)methylidene]amino]phosphonic acid has a molecular weight of 167.06 g/mol, XLogP of -1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(formamido)methylidene]amino]phosphonic acid is sourced from PubChem (CID 174529045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).