1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid

C12H17N3O3 — CID 55138613

IUPAC1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCCn1ccnc(N2CCCC2C(=O)O)c1=O
InChIInChI=1S/C12H17N3O3/c1-2-6-14-8-5-13-10(11(14)16)15-7-3-4-9(15)12(17)18/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)
InChIKeyIEOYBRCHGYZWJY-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.71
Rot. Bonds4

About 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid

1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 55138613) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID55138613
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCCn1ccnc(N2CCCC2C(=O)O)c1=O
InChIInChI=1S/C12H17N3O3/c1-2-6-14-8-5-13-10(11(14)16)15-7-3-4-9(15)12(17)18/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)
InChIKeyIEOYBRCHGYZWJY-UHFFFAOYSA-N
XLogP0.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid (CID 55138613) is 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid is CCCn1ccnc(N2CCCC2C(=O)O)c1=O.
What is the InChIKey of 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is IEOYBRCHGYZWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-6-14-8-5-13-10(11(14)16)15-7-3-4-9(15)12(17)18/h5,8-9H,2-4,6-7H2,1H3,(H,17,18).
What are the key properties of 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-4-propylpyrazin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55138613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).