4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid

C15H18N2O4 — CID 174223642

IUPAC4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid
SMILESCc1ccc2c(c1)CCN2C1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C15H18N2O4/c1-9-2-3-12-10(6-9)4-5-16(12)11-7-13(14(18)19)17(8-11)15(20)21/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyIKZLZLWUWVIFLI-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.56
Rot. Bonds2

About 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid

4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 174223642) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID174223642
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid
SMILESCc1ccc2c(c1)CCN2C1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C15H18N2O4/c1-9-2-3-12-10(6-9)4-5-16(12)11-7-13(14(18)19)17(8-11)15(20)21/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyIKZLZLWUWVIFLI-UHFFFAOYSA-N
XLogP1.56
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid (CID 174223642) is 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid is Cc1ccc2c(c1)CCN2C1CC(C(=O)O)N(C(=O)O)C1.
What is the InChIKey of 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is IKZLZLWUWVIFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-2-3-12-10(6-9)4-5-16(12)11-7-13(14(18)19)17(8-11)15(20)21/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid?
4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 174223642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).