3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid

C16H19N3O2 — CID 106983124

IUPAC3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C16H19N3O2/c1-11(2)16(15(20)21)7-8-19(10-16)14-9-17-12-5-3-4-6-13(12)18-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyIXXWXJJKGNCSRZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.57
Rot. Bonds3

About 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid

3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983124) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983124
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C16H19N3O2/c1-11(2)16(15(20)21)7-8-19(10-16)14-9-17-12-5-3-4-6-13(12)18-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyIXXWXJJKGNCSRZ-UHFFFAOYSA-N
XLogP2.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid
CID 106983135
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983174
4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid
CID 56880059
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
(3S)-3-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-3-carboxylic acid
CID 95550938
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041
(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97142246
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
CID 106983023
4-piperidin-1-yl-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 146040392
N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide
CID 165432997
2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
CID 106977590

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid (CID 106983124) is 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is IXXWXJJKGNCSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)16(15(20)21)7-8-19(10-16)14-9-17-12-5-3-4-6-13(12)18-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid?
3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).