3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid

C18H25NO3 — CID 170165007

IUPAC3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC2(CC1)c1ccccc1CC2O)C(=O)O
InChIInChI=1S/C18H25NO3/c1-17(2,16(21)22)12-19-9-7-18(8-10-19)14-6-4-3-5-13(14)11-15(18)20/h3-6,15,20H,7-12H2,1-2H3,(H,21,22)
InChIKeyVXEKDHLYMDPCBJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.05
Rot. Bonds3

About 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid

3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid (PubChem CID 170165007) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid
PubChem CID170165007
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC2(CC1)c1ccccc1CC2O)C(=O)O
InChIInChI=1S/C18H25NO3/c1-17(2,16(21)22)12-19-9-7-18(8-10-19)14-6-4-3-5-13(14)11-15(18)20/h3-6,15,20H,7-12H2,1-2H3,(H,21,22)
InChIKeyVXEKDHLYMDPCBJ-UHFFFAOYSA-N
XLogP2.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(Methylthio)acetyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56914770
3-(2,3-Dihydro-1'h-spiro[indene-1,4'-piperidin]-1'-yl)propanoic acid
CID 69265225
3-(2,3-Dihydro-1'h-spiro[indene-1,4'-piperidin]-1'-yl)propanoic acid hydrochloride
CID 69765042
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97281997
Tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 167019458
1'-(2-Propoxyethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-OL
CID 56894320
(2S)-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 10868384
tert-Butyl (2S)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 11748702
1-(3-Piperidinopropyl)-2-indanol
CID 12393827
1'-Methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 18340603
tert-Butyl 2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 18673577
2,3-Dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 18673581

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid (CID 170165007) is 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCC2(CC1)c1ccccc1CC2O)C(=O)O.
What is the InChIKey of 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid?
The InChIKey is VXEKDHLYMDPCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-17(2,16(21)22)12-19-9-7-18(8-10-19)14-6-4-3-5-13(14)11-15(18)20/h3-6,15,20H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid?
3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid has a molecular weight of 303.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 170165007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).