3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid

C9H11N3O3 — CID 134496966

IUPAC3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C9H11N3O3/c13-9(14)12-4-1-7(6-12)15-8-5-10-2-3-11-8/h2-3,5,7H,1,4,6H2,(H,13,14)
InChIKeyPXILHSDALHSABW-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.61
Rot. Bonds2

About 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid

3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid (PubChem CID 134496966) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
PubChem CID134496966
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C9H11N3O3/c13-9(14)12-4-1-7(6-12)15-8-5-10-2-3-11-8/h2-3,5,7H,1,4,6H2,(H,13,14)
InChIKeyPXILHSDALHSABW-UHFFFAOYSA-N
XLogP0.61
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626673
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90636129
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
CID 90636300
(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100754062

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid?
The IUPAC name of 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid (CID 134496966) is 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid?
The InChIKey is PXILHSDALHSABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-9(14)12-4-1-7(6-12)15-8-5-10-2-3-11-8/h2-3,5,7H,1,4,6H2,(H,13,14).
What are the key properties of 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid?
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134496966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).