5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid

C14H17N3O3 — CID 117440154

IUPAC5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
SMILESCN1CC(=O)Nc2ccc(C3CC(C(=O)O)CN3)cc21
InChIInChI=1S/C14H17N3O3/c1-17-7-13(18)16-10-3-2-8(5-12(10)17)11-4-9(6-15-11)14(19)20/h2-3,5,9,11,15H,4,6-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyZEDRJWHOWGJGKO-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.81
Rot. Bonds2

About 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid

5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117440154) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID117440154
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
SMILESCN1CC(=O)Nc2ccc(C3CC(C(=O)O)CN3)cc21
InChIInChI=1S/C14H17N3O3/c1-17-7-13(18)16-10-3-2-8(5-12(10)17)11-4-9(6-15-11)14(19)20/h2-3,5,9,11,15H,4,6-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyZEDRJWHOWGJGKO-UHFFFAOYSA-N
XLogP0.81
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid (CID 117440154) is 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid is CN1CC(=O)Nc2ccc(C3CC(C(=O)O)CN3)cc21.
What is the InChIKey of 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZEDRJWHOWGJGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-7-13(18)16-10-3-2-8(5-12(10)17)11-4-9(6-15-11)14(19)20/h2-3,5,9,11,15H,4,6-7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid?
5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117440154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).