1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid

C17H23NO3 — CID 114621832

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid
SMILESCC1(C)CC(N2CCc3cc(C(=O)O)ccc32)C(C)(C)O1
InChIInChI=1S/C17H23NO3/c1-16(2)10-14(17(3,4)21-16)18-8-7-11-9-12(15(19)20)5-6-13(11)18/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyURURIZMTMDMIAI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.09
Rot. Bonds2

About 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid

1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 114621832) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID114621832
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid
SMILESCC1(C)CC(N2CCc3cc(C(=O)O)ccc32)C(C)(C)O1
InChIInChI=1S/C17H23NO3/c1-16(2)10-14(17(3,4)21-16)18-8-7-11-9-12(15(19)20)5-6-13(11)18/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyURURIZMTMDMIAI-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115813972
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid
CID 114621655
1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748
1-acetyl-N-(2,2-dimethyloxan-4-yl)-2,3-dihydroindole-5-carboxamide
CID 146083815
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 66236051
1,2-dimethyl-3H-indazole-5-carboxylic acid
CID 86308105
(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114624557
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxylic acid
CID 91105958

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid (CID 114621832) is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid is CC1(C)CC(N2CCc3cc(C(=O)O)ccc32)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is URURIZMTMDMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-16(2)10-14(17(3,4)21-16)18-8-7-11-9-12(15(19)20)5-6-13(11)18/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,20).
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid?
1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 114621832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).