1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C16H20N2O3 — CID 80564871

IUPAC1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC1(C)CCCN1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-16(2)8-5-9-18(16)15(21)17-10-12(14(19)20)11-6-3-4-7-13(11)17/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,19,20)
InChIKeyIAXILFGODNTTJQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.67
Rot. Bonds1

About 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564871) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564871
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC1(C)CCCN1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-16(2)8-5-9-18(16)15(21)17-10-12(14(19)20)11-6-3-4-7-13(11)17/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,19,20)
InChIKeyIAXILFGODNTTJQ-UHFFFAOYSA-N
XLogP2.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565326
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 115448717
1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691709
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
(3S)-1-(3-methylbut-2-enoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124575403
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691103

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80564871) is 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid is CC1(C)CCCN1C(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is IAXILFGODNTTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2)8-5-9-18(16)15(21)17-10-12(14(19)20)11-6-3-4-7-13(11)17/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).