[(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate

C14H17NO4 — CID 95833550

IUPAC[(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate
SMILESCOc1ccc([C@H]2C[C@@H](OC(C)=O)C(=O)N2C)cc1
InChIInChI=1S/C14H17NO4/c1-9(16)19-13-8-12(15(2)14(13)17)10-4-6-11(18-3)7-5-10/h4-7,12-13H,8H2,1-3H3/t12-,13-/m1/s1
InChIKeyNRAPCTJTJINBIV-CHWSQXEVSA-N
MW263.29 g/mol
LogP1.53
Rot. Bonds3

About [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate

[(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate (PubChem CID 95833550) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate
PubChem CID95833550
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate
SMILESCOc1ccc([C@H]2C[C@@H](OC(C)=O)C(=O)N2C)cc1
InChIInChI=1S/C14H17NO4/c1-9(16)19-13-8-12(15(2)14(13)17)10-4-6-11(18-3)7-5-10/h4-7,12-13H,8H2,1-3H3/t12-,13-/m1/s1
InChIKeyNRAPCTJTJINBIV-CHWSQXEVSA-N
XLogP1.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate?
The IUPAC name of [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate (CID 95833550) is [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate is COc1ccc([C@H]2C[C@@H](OC(C)=O)C(=O)N2C)cc1.
What is the InChIKey of [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate?
The InChIKey is NRAPCTJTJINBIV-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(16)19-13-8-12(15(2)14(13)17)10-4-6-11(18-3)7-5-10/h4-7,12-13H,8H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate?
[(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate has a molecular weight of 263.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 95833550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).