2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid

C11H16N2O3 — CID 70578456

IUPAC2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid
SMILESCCC(C)(C(=O)O)C(O)Cc1cnccn1
InChIInChI=1S/C11H16N2O3/c1-3-11(2,10(15)16)9(14)6-8-7-12-4-5-13-8/h4-5,7,9,14H,3,6H2,1-2H3,(H,15,16)
InChIKeyVLSNJPQODJOVQK-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.88
Rot. Bonds5

About 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid

2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid (PubChem CID 70578456) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid
PubChem CID70578456
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid
SMILESCCC(C)(C(=O)O)C(O)Cc1cnccn1
InChIInChI=1S/C11H16N2O3/c1-3-11(2,10(15)16)9(14)6-8-7-12-4-5-13-8/h4-5,7,9,14H,3,6H2,1-2H3,(H,15,16)
InChIKeyVLSNJPQODJOVQK-UHFFFAOYSA-N
XLogP0.88
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol
CID 44514042
2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid
CID 130039613
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
2-ethoxy-N,2-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91760567
2-pyrazin-2-ylacetic acid
CID 19797048
4-(3-hydroxy-2-methyl-4-pyrazin-2-ylbutan-2-yl)oxybenzonitrile
CID 19895613
3-(pyrazin-2-ylmethylsulfanyl)propane-1,2-diol
CID 79682879
1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
1-pyrazin-2-ylbutane-2-sulfinate
CID 57048759
1-pyrazin-2-ylhexan-3-one
CID 64504751
5-tert-butyl-1-(pyrazin-2-ylmethyl)triazole-4-carboxylic acid
CID 62058969
pyrazin-2-ylmethyl N-tert-butylcarbamate
CID 174542549

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid?
The IUPAC name of 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid (CID 70578456) is 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid.
What is the SMILES notation for 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid?
The canonical SMILES for 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid is CCC(C)(C(=O)O)C(O)Cc1cnccn1.
What is the InChIKey of 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid?
The InChIKey is VLSNJPQODJOVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-11(2,10(15)16)9(14)6-8-7-12-4-5-13-8/h4-5,7,9,14H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid?
2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid is sourced from PubChem (CID 70578456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).