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

C8H17NO6P2 — CID 14884320

IUPAC[(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(NC1CC2CCC1C2)P(=O)(O)O
InChIInChI=1S/C8H17NO6P2/c10-16(11,12)8(17(13,14)15)9-7-4-5-1-2-6(7)3-5/h5-9H,1-4H2,(H2,10,11,12)(H2,13,14,15)
InChIKeySJVLAULXYQURAB-UHFFFAOYSA-N
MW285.17 g/mol
LogP0.40
Rot. Bonds4

About [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid

[(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid (PubChem CID 14884320) has the molecular formula C8H17NO6P2 and a molecular weight of 285.17 g/mol. Its IUPAC name is [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid
PubChem CID14884320
Molecular FormulaC8H17NO6P2
Molecular Weight285.17 g/mol
Exact Mass285.05
IUPAC Name[(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(NC1CC2CCC1C2)P(=O)(O)O
InChIInChI=1S/C8H17NO6P2/c10-16(11,12)8(17(13,14)15)9-7-4-5-1-2-6(7)3-5/h5-9H,1-4H2,(H2,10,11,12)(H2,13,14,15)
InChIKeySJVLAULXYQURAB-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid (CID 14884320) is [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid is O=P(O)(O)C(NC1CC2CCC1C2)P(=O)(O)O.
What is the InChIKey of [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid?
The InChIKey is SJVLAULXYQURAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO6P2/c10-16(11,12)8(17(13,14)15)9-7-4-5-1-2-6(7)3-5/h5-9H,1-4H2,(H2,10,11,12)(H2,13,14,15).
What are the key properties of [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid?
[(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid has a molecular weight of 285.17 g/mol, XLogP of 0.40, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 14884320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).