2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid

C16H19N3O2 — CID 106977590

IUPAC2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cnc2ccccc2n1
InChIInChI=1S/C16H19N3O2/c1-2-8-16(15(20)21)9-5-10-19(16)14-11-17-12-6-3-4-7-13(12)18-14/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,20,21)
InChIKeyJLDVHDKBIMIBFU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.85
Rot. Bonds4

About 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid

2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 106977590) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
PubChem CID106977590
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cnc2ccccc2n1
InChIInChI=1S/C16H19N3O2/c1-2-8-16(15(20)21)9-5-10-19(16)14-11-17-12-6-3-4-7-13(12)18-14/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,20,21)
InChIKeyJLDVHDKBIMIBFU-UHFFFAOYSA-N
XLogP2.85
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidine-2-carboxylic acid
CID 106977674
1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977706
2-propyl-1-quinazolin-4-ylpyrrolidine-2-carboxylic acid
CID 106977669
1-phthalazin-1-yl-2-propylpyrrolidine-2-carboxylic acid
CID 106977500
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136959737
1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977692
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
(3S)-3-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-3-carboxylic acid
CID 95550938
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977589
4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid
CID 56880059
2-propyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylic acid
CID 106977575
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid (CID 106977590) is 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1cnc2ccccc2n1.
What is the InChIKey of 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is JLDVHDKBIMIBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-8-16(15(20)21)9-5-10-19(16)14-11-17-12-6-3-4-7-13(12)18-14/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,20,21).
What are the key properties of 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid?
2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).