2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid

C14H17NO3 — CID 141144069

IUPAC2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C14H17NO3/c16-12-9-10-3-1-2-4-11(10)14(12)5-7-15(8-6-14)13(17)18/h1-4,12,16H,5-9H2,(H,17,18)
InChIKeySZQPJYBKVIZBSO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.62
Rot. Bonds

About 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid

2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 141144069) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
PubChem CID141144069
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C14H17NO3/c16-12-9-10-3-1-2-4-11(10)14(12)5-7-15(8-6-14)13(17)18/h1-4,12,16H,5-9H2,(H,17,18)
InChIKeySZQPJYBKVIZBSO-UHFFFAOYSA-N
XLogP1.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid (CID 141144069) is 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is SZQPJYBKVIZBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-12-9-10-3-1-2-4-11(10)14(12)5-7-15(8-6-14)13(17)18/h1-4,12,16H,5-9H2,(H,17,18).
What are the key properties of 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 141144069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).