(3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate

C17H19N3O5 — CID 173177626

IUPAC(3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate
SMILESCC(=O)Nc1nccnc1OC(=O)[C@](O)(c1ccoc1)C1CCCC1
InChIInChI=1S/C17H19N3O5/c1-11(21)20-14-15(19-8-7-18-14)25-16(22)17(23,12-4-2-3-5-12)13-6-9-24-10-13/h6-10,12,23H,2-5H2,1H3,(H,18,20,21)/t17-/m1/s1
InChIKeyLWPBEHDAFLJZCF-QGZVFWFLSA-N
MW345.36 g/mol
LogP2.01
Rot. Bonds5

About (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate

(3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate (PubChem CID 173177626) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Name(3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate
PubChem CID173177626
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate
SMILESCC(=O)Nc1nccnc1OC(=O)[C@](O)(c1ccoc1)C1CCCC1
InChIInChI=1S/C17H19N3O5/c1-11(21)20-14-15(19-8-7-18-14)25-16(22)17(23,12-4-2-3-5-12)13-6-9-24-10-13/h6-10,12,23H,2-5H2,1H3,(H,18,20,21)/t17-/m1/s1
InChIKeyLWPBEHDAFLJZCF-QGZVFWFLSA-N
XLogP2.01
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate?
The IUPAC name of (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate (CID 173177626) is (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate.
What is the SMILES notation for (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate?
The canonical SMILES for (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate is CC(=O)Nc1nccnc1OC(=O)[C@](O)(c1ccoc1)C1CCCC1.
What is the InChIKey of (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate?
The InChIKey is LWPBEHDAFLJZCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-11(21)20-14-15(19-8-7-18-14)25-16(22)17(23,12-4-2-3-5-12)13-6-9-24-10-13/h6-10,12,23H,2-5H2,1H3,(H,18,20,21)/t17-/m1/s1.
What are the key properties of (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate?
(3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate has a molecular weight of 345.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidopyrazin-2-yl) (2R)-2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 173177626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).