4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid

C10H14N2O4 — CID 23461968

IUPAC4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid
SMILESCC(CO)(CC(O)c1cnccn1)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-10(6-13,9(15)16)4-8(14)7-5-11-2-3-12-7/h2-3,5,8,13-14H,4,6H2,1H3,(H,15,16)
InChIKeyWGJQINJUGMKCFR-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.02
Rot. Bonds5

About 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid

4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid (PubChem CID 23461968) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid
PubChem CID23461968
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid
SMILESCC(CO)(CC(O)c1cnccn1)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-10(6-13,9(15)16)4-8(14)7-5-11-2-3-12-7/h2-3,5,8,13-14H,4,6H2,1H3,(H,15,16)
InChIKeyWGJQINJUGMKCFR-UHFFFAOYSA-N
XLogP-0.02
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid?
The IUPAC name of 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid (CID 23461968) is 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid.
What is the SMILES notation for 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid?
The canonical SMILES for 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid is CC(CO)(CC(O)c1cnccn1)C(=O)O.
What is the InChIKey of 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid?
The InChIKey is WGJQINJUGMKCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(6-13,9(15)16)4-8(14)7-5-11-2-3-12-7/h2-3,5,8,13-14H,4,6H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid?
4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid has a molecular weight of 226.23 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid is sourced from PubChem (CID 23461968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).