1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid

C10H12NO5P — CID 4694355

IUPAC1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid
SMILESNC1(C(=O)O)CCc2cc(P(=O)(O)O)ccc21
InChIInChI=1S/C10H12NO5P/c11-10(9(12)13)4-3-6-5-7(17(14,15)16)1-2-8(6)10/h1-2,5H,3-4,11H2,(H,12,13)(H2,14,15,16)
InChIKeyZNQZXIHSJUDIKL-UHFFFAOYSA-N
MW257.18 g/mol
LogP-0.33
Rot. Bonds2

About 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid

1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid (PubChem CID 4694355) has the molecular formula C10H12NO5P and a molecular weight of 257.18 g/mol. Its IUPAC name is 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid
PubChem CID4694355
Molecular FormulaC10H12NO5P
Molecular Weight257.18 g/mol
Exact Mass257.05
IUPAC Name1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid
SMILESNC1(C(=O)O)CCc2cc(P(=O)(O)O)ccc21
InChIInChI=1S/C10H12NO5P/c11-10(9(12)13)4-3-6-5-7(17(14,15)16)1-2-8(6)10/h1-2,5H,3-4,11H2,(H,12,13)(H2,14,15,16)
InChIKeyZNQZXIHSJUDIKL-UHFFFAOYSA-N
XLogP-0.33
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
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 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid (CID 4694355) is 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid is NC1(C(=O)O)CCc2cc(P(=O)(O)O)ccc21.
What is the InChIKey of 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is ZNQZXIHSJUDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO5P/c11-10(9(12)13)4-3-6-5-7(17(14,15)16)1-2-8(6)10/h1-2,5H,3-4,11H2,(H,12,13)(H2,14,15,16).
What are the key properties of 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid?
1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 257.18 g/mol, XLogP of -0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 4694355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).