1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C14H19N3O3 — CID 106977113

IUPAC1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1cnc(C)cn1
InChIInChI=1S/C14H19N3O3/c1-3-5-14(13(19)20)6-4-7-17(14)12(18)11-9-15-10(2)8-16-11/h8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyQCJCYGYLGIKVFF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.64
Rot. Bonds4

About 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977113) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977113
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1cnc(C)cn1
InChIInChI=1S/C14H19N3O3/c1-3-5-14(13(19)20)6-4-7-17(14)12(18)11-9-15-10(2)8-16-11/h8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyQCJCYGYLGIKVFF-UHFFFAOYSA-N
XLogP1.64
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186
1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977067
1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976953
1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 167988294
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107517270
1-(3-chloro-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977097
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024
1-(2-bromo-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977105
1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975988
1-(4-bromo-2-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977125
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977113) is 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)c1cnc(C)cn1.
What is the InChIKey of 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is QCJCYGYLGIKVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-5-14(13(19)20)6-4-7-17(14)12(18)11-9-15-10(2)8-16-11/h8-9H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).