2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid

C15H17N3O2 — CID 79369724

IUPAC2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc2ccccc2nc1N1CCC(C(=O)O)C1C
InChIInChI=1S/C15H17N3O2/c1-9-14(17-13-6-4-3-5-12(13)16-9)18-8-7-11(10(18)2)15(19)20/h3-6,10-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyZUOMHXKYPUPFSC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.24
Rot. Bonds2

About 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid

2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 79369724) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID79369724
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc2ccccc2nc1N1CCC(C(=O)O)C1C
InChIInChI=1S/C15H17N3O2/c1-9-14(17-13-6-4-3-5-12(13)16-9)18-8-7-11(10(18)2)15(19)20/h3-6,10-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyZUOMHXKYPUPFSC-UHFFFAOYSA-N
XLogP2.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid (CID 79369724) is 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid is Cc1nc2ccccc2nc1N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZUOMHXKYPUPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-14(17-13-6-4-3-5-12(13)16-9)18-8-7-11(10(18)2)15(19)20/h3-6,10-11H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).