1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid

C17H21NO4 — CID 66954267

IUPAC1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
SMILESCOC(=O)CC1CC2(CCN(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C17H21NO4/c1-22-15(19)10-12-11-17(14-5-3-2-4-13(12)14)6-8-18(9-7-17)16(20)21/h2-5,12H,6-11H2,1H3,(H,20,21)
InChIKeyMVQRKWDVKXCHGQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.75
Rot. Bonds2

About 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid

1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 66954267) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
PubChem CID66954267
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
SMILESCOC(=O)CC1CC2(CCN(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C17H21NO4/c1-22-15(19)10-12-11-17(14-5-3-2-4-13(12)14)6-8-18(9-7-17)16(20)21/h2-5,12H,6-11H2,1H3,(H,20,21)
InChIKeyMVQRKWDVKXCHGQ-UHFFFAOYSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid (CID 66954267) is 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid is COC(=O)CC1CC2(CCN(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is MVQRKWDVKXCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-22-15(19)10-12-11-17(14-5-3-2-4-13(12)14)6-8-18(9-7-17)16(20)21/h2-5,12H,6-11H2,1H3,(H,20,21).
What are the key properties of 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 66954267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).