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

C16H20N2O3 — CID 83065070

IUPAC1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCCC1(C(=O)N2c3ccccc3CC2C(=O)O)CCCN1
InChIInChI=1S/C16H20N2O3/c1-2-16(8-5-9-17-16)15(21)18-12-7-4-3-6-11(12)10-13(18)14(19)20/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,19,20)
InChIKeySRBLYFHYFGJHRW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.56
Rot. Bonds3

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

1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 83065070) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID83065070
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCCC1(C(=O)N2c3ccccc3CC2C(=O)O)CCCN1
InChIInChI=1S/C16H20N2O3/c1-2-16(8-5-9-17-16)15(21)18-12-7-4-3-6-11(12)10-13(18)14(19)20/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,19,20)
InChIKeySRBLYFHYFGJHRW-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 83080337
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79854015
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-heptanoyl-2,3-dihydroindole-2-carboxylic acid
CID 43359818
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 61365066
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-[3-[[3-(2-carboxy-2,3-dihydroindol-1-yl)-3-oxopropyl]disulfanyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 12764263
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 83065070) is 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid is CCC1(C(=O)N2c3ccccc3CC2C(=O)O)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is SRBLYFHYFGJHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-16(8-5-9-17-16)15(21)18-12-7-4-3-6-11(12)10-13(18)14(19)20/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,19,20).
What are the key properties of 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 83065070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).