2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid

C15H16N2O3 — CID 82488510

IUPAC2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid
SMILESCOc1ccc(-c2nccnc2CC(=O)O)c(C)c1C
InChIInChI=1S/C15H16N2O3/c1-9-10(2)13(20-3)5-4-11(9)15-12(8-14(18)19)16-6-7-17-15/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyRFVXMXOFBSCHCC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.40
Rot. Bonds4

About 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid

2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid (PubChem CID 82488510) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid
PubChem CID82488510
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid
SMILESCOc1ccc(-c2nccnc2CC(=O)O)c(C)c1C
InChIInChI=1S/C15H16N2O3/c1-9-10(2)13(20-3)5-4-11(9)15-12(8-14(18)19)16-6-7-17-15/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyRFVXMXOFBSCHCC-UHFFFAOYSA-N
XLogP2.40
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82477709
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-3-oxopropanoic acid
CID 115163405
2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 95481168
2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
CID 82477699
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
2-[(4-methoxy-2,3-dimethylphenyl)methyl]propanedioic acid
CID 170895399
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
2-(3,4-dimethoxy-2-nitrophenyl)acetic acid
CID 68912474
2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
CID 133095598
(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 10584009

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid?
The IUPAC name of 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid (CID 82488510) is 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid is COc1ccc(-c2nccnc2CC(=O)O)c(C)c1C.
What is the InChIKey of 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid?
The InChIKey is RFVXMXOFBSCHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-10(2)13(20-3)5-4-11(9)15-12(8-14(18)19)16-6-7-17-15/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid?
2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid is sourced from PubChem (CID 82488510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).