1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid

C14H19N3O3 — CID 63147237

IUPAC1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C14H19N3O3/c1-2-14(13(19)20)5-7-16(9-14)11-12(18)17(8-6-15-11)10-3-4-10/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)
InChIKeyWNLTURSZFVJSTI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.27
Rot. Bonds4

About 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid

1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63147237) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63147237
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C14H19N3O3/c1-2-14(13(19)20)5-7-16(9-14)11-12(18)17(8-6-15-11)10-3-4-10/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)
InChIKeyWNLTURSZFVJSTI-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63136577
1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166159
1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one
CID 82996710
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 63902780
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769
3-(4-bromopiperidin-1-yl)-1-cyclopropylpyrazin-2-one
CID 80674441
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433312
3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid
CID 104729524
1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62929719

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid (CID 63147237) is 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2nccn(C3CC3)c2=O)C1.
What is the InChIKey of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is WNLTURSZFVJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-14(13(19)20)5-7-16(9-14)11-12(18)17(8-6-15-11)10-3-4-10/h6,8,10H,2-5,7,9H2,1H3,(H,19,20).
What are the key properties of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).