[[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid

C2H8N5O4P — CID 174340623

IUPAC[[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid
SMILESNC(=O)NNC(N)=NP(=O)(O)O
InChIInChI=1S/C2H8N5O4P/c3-1(5-6-2(4)8)7-12(9,10)11/h(H3,4,6,8)(H5,3,5,7,9,10,11)
InChIKeyRKKDJQYCVUKGGX-UHFFFAOYSA-N
MW197.09 g/mol
LogP-2.43
Rot. Bonds1

About [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid

[[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid (PubChem CID 174340623) has the molecular formula C2H8N5O4P and a molecular weight of 197.09 g/mol. Its IUPAC name is [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid.

Molecular Properties

Compound Name[[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid
PubChem CID174340623
Molecular FormulaC2H8N5O4P
Molecular Weight197.09 g/mol
Exact Mass197.03
IUPAC Name[[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid
SMILESNC(=O)NNC(N)=NP(=O)(O)O
InChIInChI=1S/C2H8N5O4P/c3-1(5-6-2(4)8)7-12(9,10)11/h(H3,4,6,8)(H5,3,5,7,9,10,11)
InChIKeyRKKDJQYCVUKGGX-UHFFFAOYSA-N
XLogP-2.43
TPSA163.06 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500197.09
LogP ≤ 5-2.43
H-Bond Donors ≤ 56
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[[amino(formamido)methylidene]amino]phosphonic acid
CID 174529045
phosphoric acid;sulfanylurea
CID 118224142
(2-diazohydrazinyl)urea
CID 87973262
bis(carbamoylamino)methylphosphonic acid
CID 88731403
fluorophosphonic acid;methylurea
CID 173044631
(carbamoylamino) dihydrogen phosphate
CID 57166645
aminophosphonic acid;rhenium
CID 174387588
carbamic acid;diaminophosphinic acid
CID 158832791
calcium;(carbamoylamino) dihydrogen phosphate;hydride
CID 174794856
[[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea
CID 175264763
propylaminourea
CID 55291175
sodium 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate
CID 138395770

Frequently Asked Questions

What is the IUPAC name of [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid?
The IUPAC name of [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid (CID 174340623) is [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid.
What is the SMILES notation for [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid?
The canonical SMILES for [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid is NC(=O)NNC(N)=NP(=O)(O)O.
What is the InChIKey of [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid?
The InChIKey is RKKDJQYCVUKGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N5O4P/c3-1(5-6-2(4)8)7-12(9,10)11/h(H3,4,6,8)(H5,3,5,7,9,10,11).
What are the key properties of [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid?
[[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid has a molecular weight of 197.09 g/mol, XLogP of -2.43, 1 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid is sourced from PubChem (CID 174340623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).