5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid

C14H15N3O3 — CID 122048062

IUPAC5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESCc1ccc(C2CCCN2c2cnc(C(=O)O)cn2)o1
InChIInChI=1S/C14H15N3O3/c1-9-4-5-12(20-9)11-3-2-6-17(11)13-8-15-10(7-16-13)14(18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,18,19)
InChIKeyIPSFYLOWHCJEFJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.42
Rot. Bonds3

About 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid

5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122048062) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122048062
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESCc1ccc(C2CCCN2c2cnc(C(=O)O)cn2)o1
InChIInChI=1S/C14H15N3O3/c1-9-4-5-12(20-9)11-3-2-6-17(11)13-8-15-10(7-16-13)14(18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,18,19)
InChIKeyIPSFYLOWHCJEFJ-UHFFFAOYSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid (CID 122048062) is 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid is Cc1ccc(C2CCCN2c2cnc(C(=O)O)cn2)o1.
What is the InChIKey of 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is IPSFYLOWHCJEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-4-5-12(20-9)11-3-2-6-17(11)13-8-15-10(7-16-13)14(18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid?
5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).