methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate

C17H19NO6 — CID 11716983

IUPACmethyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C[C@H]1C(=O)CN(C(=O)c2ccccc2)[C@@]1(C)C(=O)OC
InChIInChI=1S/C17H19NO6/c1-17(16(22)24-3)12(9-14(20)23-2)13(19)10-18(17)15(21)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,17+/m0/s1
InChIKeyCXDDXZUFDUOOFM-YVEFUNNKSA-N
MW333.34 g/mol
LogP0.82
Rot. Bonds4

About methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate

methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate (PubChem CID 11716983) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate
PubChem CID11716983
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Namemethyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C[C@H]1C(=O)CN(C(=O)c2ccccc2)[C@@]1(C)C(=O)OC
InChIInChI=1S/C17H19NO6/c1-17(16(22)24-3)12(9-14(20)23-2)13(19)10-18(17)15(21)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,17+/m0/s1
InChIKeyCXDDXZUFDUOOFM-YVEFUNNKSA-N
XLogP0.82
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate (CID 11716983) is methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate is COC(=O)C[C@H]1C(=O)CN(C(=O)c2ccccc2)[C@@]1(C)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate?
The InChIKey is CXDDXZUFDUOOFM-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H19NO6/c1-17(16(22)24-3)12(9-14(20)23-2)13(19)10-18(17)15(21)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,17+/m0/s1.
What are the key properties of methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate?
methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-1-benzoyl-3-(2-methoxy-2-oxoethyl)-2-methyl-4-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 11716983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).