ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate

C15H19NO4 — CID 59066500

IUPACethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)CC(=O)N1C
InChIInChI=1S/C15H19NO4/c1-4-20-15(18)14-12(9-13(17)16(14)2)10-5-7-11(19-3)8-6-10/h5-8,12,14H,4,9H2,1-3H3/t12-,14-/m1/s1
InChIKeyYLIFSIBMSBFDIF-TZMCWYRMSA-N
MW277.32 g/mol
LogP1.57
Rot. Bonds4

About ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate

ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 59066500) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID59066500
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)CC(=O)N1C
InChIInChI=1S/C15H19NO4/c1-4-20-15(18)14-12(9-13(17)16(14)2)10-5-7-11(19-3)8-6-10/h5-8,12,14H,4,9H2,1-3H3/t12-,14-/m1/s1
InChIKeyYLIFSIBMSBFDIF-TZMCWYRMSA-N
XLogP1.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate (CID 59066500) is ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate is CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)CC(=O)N1C.
What is the InChIKey of ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is YLIFSIBMSBFDIF-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-20-15(18)14-12(9-13(17)16(14)2)10-5-7-11(19-3)8-6-10/h5-8,12,14H,4,9H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate?
ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 59066500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).