1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 113309144

IUPAC1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1cncc(NCC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-18-10-7-13-6-9(15-10)14-8-12(11(16)17)4-2-3-5-12/h6-7H,2-5,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGYPLRBASBWOHOD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.54
Rot. Bonds5

About 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309144) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113309144
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1cncc(NCC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-18-10-7-13-6-9(15-10)14-8-12(11(16)17)4-2-3-5-12/h6-7H,2-5,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGYPLRBASBWOHOD-UHFFFAOYSA-N
XLogP1.54
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid (CID 113309144) is 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid is COc1cncc(NCC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GYPLRBASBWOHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-10-7-13-6-9(15-10)14-8-12(11(16)17)4-2-3-5-12/h6-7H,2-5,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).