3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid

C17H20N2O2 — CID 63229377

IUPAC3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc3ccccc3cc2C)C1
InChIInChI=1S/C17H20N2O2/c1-3-17(16(20)21)8-9-19(11-17)15-12(2)10-13-6-4-5-7-14(13)18-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)
InChIKeyRWGCGAFCINMZEH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.23
Rot. Bonds3

About 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63229377) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID63229377
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc3ccccc3cc2C)C1
InChIInChI=1S/C17H20N2O2/c1-3-17(16(20)21)8-9-19(11-17)15-12(2)10-13-6-4-5-7-14(13)18-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)
InChIKeyRWGCGAFCINMZEH-UHFFFAOYSA-N
XLogP3.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid (CID 63229377) is 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2nc3ccccc3cc2C)C1.
What is the InChIKey of 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RWGCGAFCINMZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-17(16(20)21)8-9-19(11-17)15-12(2)10-13-6-4-5-7-14(13)18-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63229377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).