ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate

C12H15N3O4 — CID 90636072

IUPACethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
SMILESCCOC(=O)C(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C12H15N3O4/c1-2-18-12(17)11(16)15-6-3-9(8-15)19-10-7-13-4-5-14-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyAFSOGMOKUWJUIA-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.02
Rot. Bonds3

About ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate

ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate (PubChem CID 90636072) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
PubChem CID90636072
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
SMILESCCOC(=O)C(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C12H15N3O4/c1-2-18-12(17)11(16)15-6-3-9(8-15)19-10-7-13-4-5-14-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyAFSOGMOKUWJUIA-UHFFFAOYSA-N
XLogP0.02
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636070
2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558966
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione
CID 90636347
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753272
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636127
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626673

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate?
The IUPAC name of ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate (CID 90636072) is ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate is CCOC(=O)C(=O)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate?
The InChIKey is AFSOGMOKUWJUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-2-18-12(17)11(16)15-6-3-9(8-15)19-10-7-13-4-5-14-10/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate?
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate has a molecular weight of 265.27 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate is sourced from PubChem (CID 90636072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).