[(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid

C10H15NO6P2 — CID 5277464

IUPAC[(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1ccc2c(c1)CCC2)P(=O)(O)O
InChIInChI=1S/C10H15NO6P2/c12-18(13,14)10(19(15,16)17)11-9-5-4-7-2-1-3-8(7)6-9/h4-6,10-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)
InChIKeyAFAYEBZLLBUMBG-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.23
Rot. Bonds4

About [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid

[(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid (PubChem CID 5277464) has the molecular formula C10H15NO6P2 and a molecular weight of 307.18 g/mol. Its IUPAC name is [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid
PubChem CID5277464
Molecular FormulaC10H15NO6P2
Molecular Weight307.18 g/mol
Exact Mass307.04
IUPAC Name[(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1ccc2c(c1)CCC2)P(=O)(O)O
InChIInChI=1S/C10H15NO6P2/c12-18(13,14)10(19(15,16)17)11-9-5-4-7-2-1-3-8(7)6-9/h4-6,10-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)
InChIKeyAFAYEBZLLBUMBG-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid (CID 5277464) is [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid is O=P(O)(O)C(Nc1ccc2c(c1)CCC2)P(=O)(O)O.
What is the InChIKey of [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid?
The InChIKey is AFAYEBZLLBUMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6P2/c12-18(13,14)10(19(15,16)17)11-9-5-4-7-2-1-3-8(7)6-9/h4-6,10-11H,1-3H2,(H2,12,13,14)(H2,15,16,17).
What are the key properties of [(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid?
[(2,3-dihydro-1H-inden-5-ylamino)-phosphonomethyl]phosphonic acid has a molecular weight of 307.18 g/mol, XLogP of 1.23, 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-5-ylamino)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 5277464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).