(3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one

C15H19NO4 — CID 11185000

IUPAC(3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one
SMILESCOC(C)(O[C@H]1C(=O)NC[C@@H]1c1ccccc1)C(C)=O
InChIInChI=1S/C15H19NO4/c1-10(17)15(2,19-3)20-13-12(9-16-14(13)18)11-7-5-4-6-8-11/h4-8,12-13H,9H2,1-3H3,(H,16,18)/t12-,13-,15?/m1/s1
InChIKeyBSJJJBWKQFQXET-HCYNLOQUSA-N
MW277.32 g/mol
LogP1.24
Rot. Bonds5

About (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one

(3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one (PubChem CID 11185000) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one
PubChem CID11185000
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one
SMILESCOC(C)(O[C@H]1C(=O)NC[C@@H]1c1ccccc1)C(C)=O
InChIInChI=1S/C15H19NO4/c1-10(17)15(2,19-3)20-13-12(9-16-14(13)18)11-7-5-4-6-8-11/h4-8,12-13H,9H2,1-3H3,(H,16,18)/t12-,13-,15?/m1/s1
InChIKeyBSJJJBWKQFQXET-HCYNLOQUSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

carbon dioxide;(3R,4S)-3-methyl-4-phenylpyrrolidin-2-one
CID 160728720
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022
(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
CID 141255561
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
(3R,4R)-4-(4-tert-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 129452513
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate
CID 141265276
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11992394
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
acetic acid;2,5-diphenylpiperazine
CID 157254746
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one?
The IUPAC name of (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one (CID 11185000) is (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one?
The canonical SMILES for (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one is COC(C)(O[C@H]1C(=O)NC[C@@H]1c1ccccc1)C(C)=O.
What is the InChIKey of (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one?
The InChIKey is BSJJJBWKQFQXET-HCYNLOQUSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(17)15(2,19-3)20-13-12(9-16-14(13)18)11-7-5-4-6-8-11/h4-8,12-13H,9H2,1-3H3,(H,16,18)/t12-,13-,15?/m1/s1.
What are the key properties of (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one?
(3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(2-methoxy-3-oxobutan-2-yl)oxy-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 11185000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).