2-(3-cyclopentylpyrazin-2-yl)propanoic acid

C12H16N2O2 — CID 21413235

IUPAC2-(3-cyclopentylpyrazin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nccnc1C1CCCC1
InChIInChI=1S/C12H16N2O2/c1-8(12(15)16)10-11(14-7-6-13-10)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyDFXSYEZSPZTLAA-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds3

About 2-(3-cyclopentylpyrazin-2-yl)propanoic acid

2-(3-cyclopentylpyrazin-2-yl)propanoic acid (PubChem CID 21413235) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(3-cyclopentylpyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpyrazin-2-yl)propanoic acid
PubChem CID21413235
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(3-cyclopentylpyrazin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nccnc1C1CCCC1
InChIInChI=1S/C12H16N2O2/c1-8(12(15)16)10-11(14-7-6-13-10)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyDFXSYEZSPZTLAA-UHFFFAOYSA-N
XLogP2.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpyrazin-2-yl)propanoic acid?
The IUPAC name of 2-(3-cyclopentylpyrazin-2-yl)propanoic acid (CID 21413235) is 2-(3-cyclopentylpyrazin-2-yl)propanoic acid.
What is the SMILES notation for 2-(3-cyclopentylpyrazin-2-yl)propanoic acid?
The canonical SMILES for 2-(3-cyclopentylpyrazin-2-yl)propanoic acid is CC(C(=O)O)c1nccnc1C1CCCC1.
What is the InChIKey of 2-(3-cyclopentylpyrazin-2-yl)propanoic acid?
The InChIKey is DFXSYEZSPZTLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(12(15)16)10-11(14-7-6-13-10)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(3-cyclopentylpyrazin-2-yl)propanoic acid?
2-(3-cyclopentylpyrazin-2-yl)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpyrazin-2-yl)propanoic acid is sourced from PubChem (CID 21413235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).