5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid

C17H19BrN2O3 — CID 132972506

IUPAC5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCc3ccc(Br)cc32)N1C1CC1
InChIInChI=1S/C17H19BrN2O3/c18-11-2-1-10-7-8-19(15(10)9-11)16(21)13-5-6-14(17(22)23)20(13)12-3-4-12/h1-2,9,12-14H,3-8H2,(H,22,23)
InChIKeyLXKLXYDFSQGGOT-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.42
Rot. Bonds3

About 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid

5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid (PubChem CID 132972506) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid
PubChem CID132972506
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCc3ccc(Br)cc32)N1C1CC1
InChIInChI=1S/C17H19BrN2O3/c18-11-2-1-10-7-8-19(15(10)9-11)16(21)13-5-6-14(17(22)23)20(13)12-3-4-12/h1-2,9,12-14H,3-8H2,(H,22,23)
InChIKeyLXKLXYDFSQGGOT-UHFFFAOYSA-N
XLogP2.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
CID 119324720
8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 91252652
(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 141303250
1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119785525
2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954
1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 59625947
1-[4-(8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166418634
(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119280340
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
CID 103953312
6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
[1-(4-bromobenzoyl)piperidin-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37161630

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid (CID 132972506) is 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCc3ccc(Br)cc32)N1C1CC1.
What is the InChIKey of 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid?
The InChIKey is LXKLXYDFSQGGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c18-11-2-1-10-7-8-19(15(10)9-11)16(21)13-5-6-14(17(22)23)20(13)12-3-4-12/h1-2,9,12-14H,3-8H2,(H,22,23).
What are the key properties of 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid?
5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid has a molecular weight of 379.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 132972506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).