2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid

C16H21NO2 — CID 58137291

IUPAC2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid
SMILESCc1ccc2c(c1)C1(CCNCC1)CC2CC(=O)O
InChIInChI=1S/C16H21NO2/c1-11-2-3-13-12(9-15(18)19)10-16(14(13)8-11)4-6-17-7-5-16/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyYTDPAJJCRHDAEI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds2

About 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid

2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid (PubChem CID 58137291) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid
PubChem CID58137291
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid
SMILESCc1ccc2c(c1)C1(CCNCC1)CC2CC(=O)O
InChIInChI=1S/C16H21NO2/c1-11-2-3-13-12(9-15(18)19)10-16(14(13)8-11)4-6-17-7-5-16/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyYTDPAJJCRHDAEI-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid?
The IUPAC name of 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid (CID 58137291) is 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid?
The canonical SMILES for 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid is Cc1ccc2c(c1)C1(CCNCC1)CC2CC(=O)O.
What is the InChIKey of 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid?
The InChIKey is YTDPAJJCRHDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-2-3-13-12(9-15(18)19)10-16(14(13)8-11)4-6-17-7-5-16/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid?
2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid has a molecular weight of 259.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid is sourced from PubChem (CID 58137291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).