6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid

C14H19N3O3 — CID 86283729

IUPAC6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESC[C@@H]1CN(c2cncc(C(=O)O)n2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C14H19N3O3/c1-9-7-17(8-14(9,20)10-3-2-4-10)12-6-15-5-11(16-12)13(18)19/h5-6,9-10,20H,2-4,7-8H2,1H3,(H,18,19)/t9-,14+/m1/s1
InChIKeyPFZURHIEAOSASI-OTYXRUKQSA-N
MW277.32 g/mol
LogP1.16
Rot. Bonds3

About 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid

6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 86283729) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID86283729
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESC[C@@H]1CN(c2cncc(C(=O)O)n2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C14H19N3O3/c1-9-7-17(8-14(9,20)10-3-2-4-10)12-6-15-5-11(16-12)13(18)19/h5-6,9-10,20H,2-4,7-8H2,1H3,(H,18,19)/t9-,14+/m1/s1
InChIKeyPFZURHIEAOSASI-OTYXRUKQSA-N
XLogP1.16
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 103356411
6-(3-hydroxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66457642
6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 126451229
6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 66452127
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
CID 137345511
2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid
CID 70746184
(3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol
CID 70738692
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid
CID 66449301
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid (CID 86283729) is 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid is C[C@@H]1CN(c2cncc(C(=O)O)n2)C[C@@]1(O)C1CCC1.
What is the InChIKey of 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is PFZURHIEAOSASI-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-7-17(8-14(9,20)10-3-2-4-10)12-6-15-5-11(16-12)13(18)19/h5-6,9-10,20H,2-4,7-8H2,1H3,(H,18,19)/t9-,14+/m1/s1.
What are the key properties of 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid?
6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 86283729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).