2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate

C16H19NO6 — CID 95981556

IUPAC2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate
SMILESCC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccccc1
InChIInChI=1S/C16H19NO6/c1-11(18)9-23-16(21)14-7-12(19)8-17(14)15(20)10-22-13-5-3-2-4-6-13/h2-6,12,14,19H,7-10H2,1H3/t12-,14+/m1/s1
InChIKeyWUDOCHJACHQKPS-OCCSQVGLSA-N
MW321.33 g/mol
LogP0.16
Rot. Bonds6

About 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate

2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate (PubChem CID 95981556) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate
PubChem CID95981556
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate
SMILESCC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccccc1
InChIInChI=1S/C16H19NO6/c1-11(18)9-23-16(21)14-7-12(19)8-17(14)15(20)10-22-13-5-3-2-4-6-13/h2-6,12,14,19H,7-10H2,1H3/t12-,14+/m1/s1
InChIKeyWUDOCHJACHQKPS-OCCSQVGLSA-N
XLogP0.16
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate (CID 95981556) is 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate is CC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccccc1.
What is the InChIKey of 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate?
The InChIKey is WUDOCHJACHQKPS-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H19NO6/c1-11(18)9-23-16(21)14-7-12(19)8-17(14)15(20)10-22-13-5-3-2-4-6-13/h2-6,12,14,19H,7-10H2,1H3/t12-,14+/m1/s1.
What are the key properties of 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate?
2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 95981556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).