[(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid

C10H15NO6P2 — CID 139624648

IUPAC[(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(NC1Cc2ccccc2C1)P(=O)(O)O
InChIInChI=1S/C10H15NO6P2/c12-18(13,14)10(19(15,16)17)11-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-11H,5-6H2,(H2,12,13,14)(H2,15,16,17)
InChIKeyJNWNFJQOURSLPP-UHFFFAOYSA-N
MW307.18 g/mol
LogP0.38
Rot. Bonds4

About [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid

[(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid (PubChem CID 139624648) has the molecular formula C10H15NO6P2 and a molecular weight of 307.18 g/mol. Its IUPAC name is [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid
PubChem CID139624648
Molecular FormulaC10H15NO6P2
Molecular Weight307.18 g/mol
Exact Mass307.04
IUPAC Name[(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(NC1Cc2ccccc2C1)P(=O)(O)O
InChIInChI=1S/C10H15NO6P2/c12-18(13,14)10(19(15,16)17)11-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-11H,5-6H2,(H2,12,13,14)(H2,15,16,17)
InChIKeyJNWNFJQOURSLPP-UHFFFAOYSA-N
XLogP0.38
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 50.38
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 [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid (CID 139624648) is [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid is O=P(O)(O)C(NC1Cc2ccccc2C1)P(=O)(O)O.
What is the InChIKey of [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid?
The InChIKey is JNWNFJQOURSLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6P2/c12-18(13,14)10(19(15,16)17)11-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-11H,5-6H2,(H2,12,13,14)(H2,15,16,17).
What are the key properties of [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid?
[(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid has a molecular weight of 307.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dihydro-1H-inden-2-ylamino)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 139624648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).