2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid

C13H19N3O2 — CID 114474524

IUPAC2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(NCC2CCCC2C(=O)O)nc1C
InChIInChI=1S/C13H19N3O2/c1-8-9(2)16-12(7-14-8)15-6-10-4-3-5-11(10)13(17)18/h7,10-11H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUVRXZTVLZLLACG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds4

About 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 114474524) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID114474524
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(NCC2CCCC2C(=O)O)nc1C
InChIInChI=1S/C13H19N3O2/c1-8-9(2)16-12(7-14-8)15-6-10-4-3-5-11(10)13(17)18/h7,10-11H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUVRXZTVLZLLACG-UHFFFAOYSA-N
XLogP2.01
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid (CID 114474524) is 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid is Cc1ncc(NCC2CCCC2C(=O)O)nc1C.
What is the InChIKey of 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is UVRXZTVLZLLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-9(2)16-12(7-14-8)15-6-10-4-3-5-11(10)13(17)18/h7,10-11H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114474524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).