[(E)-1-amino-2-phosphonoethenyl]phosphonic acid

C2H7NO6P2 — CID 87839952

IUPAC[(E)-1-amino-2-phosphonoethenyl]phosphonic acid
SMILESN/C(=C\P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C2H7NO6P2/c3-2(11(7,8)9)1-10(4,5)6/h1H,3H2,(H2,4,5,6)(H2,7,8,9)/b2-1+
InChIKeyGTYUNSAPKFMXHS-OWOJBTEDSA-N
MW203.03 g/mol
LogP-0.90
Rot. Bonds2

About [(E)-1-amino-2-phosphonoethenyl]phosphonic acid

[(E)-1-amino-2-phosphonoethenyl]phosphonic acid (PubChem CID 87839952) has the molecular formula C2H7NO6P2 and a molecular weight of 203.03 g/mol. Its IUPAC name is [(E)-1-amino-2-phosphonoethenyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-1-amino-2-phosphonoethenyl]phosphonic acid
PubChem CID87839952
Molecular FormulaC2H7NO6P2
Molecular Weight203.03 g/mol
Exact Mass202.97
IUPAC Name[(E)-1-amino-2-phosphonoethenyl]phosphonic acid
SMILESN/C(=C\P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C2H7NO6P2/c3-2(11(7,8)9)1-10(4,5)6/h1H,3H2,(H2,4,5,6)(H2,7,8,9)/b2-1+
InChIKeyGTYUNSAPKFMXHS-OWOJBTEDSA-N
XLogP-0.90
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 5-0.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;diaminophosphinic acid
CID 158832791
hydroxy nitrite;phosphoric acid
CID 175479326
ethenylphosphonic acid;prop-2-enamide
CID 18401329
[(1E)-2-chlorobuta-1,3-dienyl]phosphonic acid
CID 88799713
hydroxylamine;phosphoric acid
CID 160630292
phosphoric acid;bis(prop-2-enamide)
CID 175358091
[(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid
CID 15359617
methanamine;phosphoric acid
CID 173433743
hydrazine;phosphonophosphonic acid
CID 173356287
azane;hydroxylamine;phosphoric acid
CID 173277328
aminophosphonic acid;rhenium
CID 174387588
[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid
CID 151295904

Frequently Asked Questions

What is the IUPAC name of [(E)-1-amino-2-phosphonoethenyl]phosphonic acid?
The IUPAC name of [(E)-1-amino-2-phosphonoethenyl]phosphonic acid (CID 87839952) is [(E)-1-amino-2-phosphonoethenyl]phosphonic acid.
What is the SMILES notation for [(E)-1-amino-2-phosphonoethenyl]phosphonic acid?
The canonical SMILES for [(E)-1-amino-2-phosphonoethenyl]phosphonic acid is N/C(=C\P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [(E)-1-amino-2-phosphonoethenyl]phosphonic acid?
The InChIKey is GTYUNSAPKFMXHS-OWOJBTEDSA-N. The full InChI is InChI=1S/C2H7NO6P2/c3-2(11(7,8)9)1-10(4,5)6/h1H,3H2,(H2,4,5,6)(H2,7,8,9)/b2-1+.
What are the key properties of [(E)-1-amino-2-phosphonoethenyl]phosphonic acid?
[(E)-1-amino-2-phosphonoethenyl]phosphonic acid has a molecular weight of 203.03 g/mol, XLogP of -0.90, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-amino-2-phosphonoethenyl]phosphonic acid is sourced from PubChem (CID 87839952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).