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

C11H15N3O2 — CID 114541203

IUPAC3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid
SMILESCC1CCC(Nc2nccnc2C(=O)O)C1
InChIInChI=1S/C11H15N3O2/c1-7-2-3-8(6-7)14-10-9(11(15)16)12-4-5-13-10/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyAOWGBTZEPIUNQF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.78
Rot. Bonds3

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

3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid (PubChem CID 114541203) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid
PubChem CID114541203
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid
SMILESCC1CCC(Nc2nccnc2C(=O)O)C1
InChIInChI=1S/C11H15N3O2/c1-7-2-3-8(6-7)14-10-9(11(15)16)12-4-5-13-10/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyAOWGBTZEPIUNQF-UHFFFAOYSA-N
XLogP1.78
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid (CID 114541203) is 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid is CC1CCC(Nc2nccnc2C(=O)O)C1.
What is the InChIKey of 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is AOWGBTZEPIUNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-2-3-8(6-7)14-10-9(11(15)16)12-4-5-13-10/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid?
3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 114541203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).