[(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid

C11H13NO6P2 — CID 19382975

IUPAC[(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cccc2ccccc12)P(=O)(O)O
InChIInChI=1S/C11H13NO6P2/c13-19(14,15)11(20(16,17)18)12-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)(H2,16,17,18)
InChIKeyMDQNHUVXMAEAFD-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.89
Rot. Bonds4

About [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid

[(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid (PubChem CID 19382975) has the molecular formula C11H13NO6P2 and a molecular weight of 317.17 g/mol. Its IUPAC name is [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid
PubChem CID19382975
Molecular FormulaC11H13NO6P2
Molecular Weight317.17 g/mol
Exact Mass317.02
IUPAC Name[(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cccc2ccccc12)P(=O)(O)O
InChIInChI=1S/C11H13NO6P2/c13-19(14,15)11(20(16,17)18)12-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)(H2,16,17,18)
InChIKeyMDQNHUVXMAEAFD-UHFFFAOYSA-N
XLogP1.89
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.89
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 [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid (CID 19382975) is [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid is O=P(O)(O)C(Nc1cccc2ccccc12)P(=O)(O)O.
What is the InChIKey of [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid?
The InChIKey is MDQNHUVXMAEAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6P2/c13-19(14,15)11(20(16,17)18)12-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)(H2,16,17,18).
What are the key properties of [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid?
[(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid has a molecular weight of 317.17 g/mol, XLogP of 1.89, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 19382975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).