6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid

C10H13N3O3 — CID 103356411

IUPAC6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1(O)CCN(c2cncc(C(=O)O)n2)C1
InChIInChI=1S/C10H13N3O3/c1-10(16)2-3-13(6-10)8-5-11-4-7(12-8)9(14)15/h4-5,16H,2-3,6H2,1H3,(H,14,15)
InChIKeyUYRBLORYZBRGPD-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.14
Rot. Bonds2

About 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid

6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 103356411) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID103356411
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1(O)CCN(c2cncc(C(=O)O)n2)C1
InChIInChI=1S/C10H13N3O3/c1-10(16)2-3-13(6-10)8-5-11-4-7(12-8)9(14)15/h4-5,16H,2-3,6H2,1H3,(H,14,15)
InChIKeyUYRBLORYZBRGPD-UHFFFAOYSA-N
XLogP0.14
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
CID 137345511
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 126451229
1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol
CID 133485381
6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 86283729
1-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-methylpyrrolidin-3-ol
CID 133485388
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052560
6-(3,3-dimethylpyrrolidin-1-yl)pyrazin-2-amine
CID 79034078
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 66456547
1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 103868258

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid (CID 103356411) is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid is CC1(O)CCN(c2cncc(C(=O)O)n2)C1.
What is the InChIKey of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is UYRBLORYZBRGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-10(16)2-3-13(6-10)8-5-11-4-7(12-8)9(14)15/h4-5,16H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 103356411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).