3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid

C11H15N3O3 — CID 62709797

IUPAC3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid
SMILESCOC1CCCC1Nc1nccnc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-17-8-4-2-3-7(8)14-10-9(11(15)16)12-5-6-13-10/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyYQIQIWYRWJVELU-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.15
Rot. Bonds4

About 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid

3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid (PubChem CID 62709797) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid
PubChem CID62709797
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid
SMILESCOC1CCCC1Nc1nccnc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-17-8-4-2-3-7(8)14-10-9(11(15)16)12-5-6-13-10/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyYQIQIWYRWJVELU-UHFFFAOYSA-N
XLogP1.15
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid (CID 62709797) is 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid is COC1CCCC1Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is YQIQIWYRWJVELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-8-4-2-3-7(8)14-10-9(11(15)16)12-5-6-13-10/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid?
3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxycyclopentyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62709797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).