[(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid

C8H17NO6P2 — CID 88514090

IUPAC[(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(NC12CCC(CC1)C2)P(=O)(O)O
InChIInChI=1S/C8H17NO6P2/c10-16(11,12)7(17(13,14)15)9-8-3-1-6(5-8)2-4-8/h6-7,9H,1-5H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyLHNMRSPVYYRSFE-UHFFFAOYSA-N
MW285.17 g/mol
LogP0.55
Rot. Bonds4

About [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid

[(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid (PubChem CID 88514090) has the molecular formula C8H17NO6P2 and a molecular weight of 285.17 g/mol. Its IUPAC name is [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid
PubChem CID88514090
Molecular FormulaC8H17NO6P2
Molecular Weight285.17 g/mol
Exact Mass285.05
IUPAC Name[(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(NC12CCC(CC1)C2)P(=O)(O)O
InChIInChI=1S/C8H17NO6P2/c10-16(11,12)7(17(13,14)15)9-8-3-1-6(5-8)2-4-8/h6-7,9H,1-5H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyLHNMRSPVYYRSFE-UHFFFAOYSA-N
XLogP0.55
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 50.55
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

1-bicyclo[2.2.1]heptanylhydrazine
CID 19432839
N-(1-bicyclo[2.2.1]heptanyl)-2-sulfanylbenzamide
CID 90825858
2-N,4-N,6-N-tris(1-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-tricarboxamide
CID 171722602
bicyclo[2.2.1]heptane-1-carbonyl bromide
CID 21489193
3,4-bis(1-bicyclo[2.2.1]heptanylcarbamoyl)phthalic acid
CID 70176185
[(oxan-4-ylamino)-phosphonomethyl]phosphonic acid
CID 14884330
N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide
CID 91548235
bicyclo[3.2.2]nonane-1-carboxylic acid
CID 12757493
2-N,4-N,6-N-tris(1-bicyclo[2.2.2]octanyl)-1,3,5-triazine-2,4,6-tricarboxamide
CID 171722638
bicyclo[2.2.1]heptan-1-ol
CID 524266
N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide
CID 146088861
1-bicyclo[2.2.1]heptanyl-[1-bicyclo[2.2.1]heptanyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87476806

Frequently Asked Questions

What is the IUPAC name of [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid (CID 88514090) is [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid is O=P(O)(O)C(NC12CCC(CC1)C2)P(=O)(O)O.
What is the InChIKey of [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid?
The InChIKey is LHNMRSPVYYRSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO6P2/c10-16(11,12)7(17(13,14)15)9-8-3-1-6(5-8)2-4-8/h6-7,9H,1-5H2,(H2,10,11,12)(H2,13,14,15).
What are the key properties of [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid?
[(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid has a molecular weight of 285.17 g/mol, XLogP of 0.55, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 88514090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).