[(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate

C13H15NO4 — CID 10586687

IUPAC[(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1O
InChIInChI=1S/C13H15NO4/c1-9(15)18-11-7-12(16)14(13(11)17)8-10-5-3-2-4-6-10/h2-6,11,13,17H,7-8H2,1H3/t11-,13-/m0/s1
InChIKeyZCJLSHFSNJDCDM-AAEUAGOBSA-N
MW249.27 g/mol
LogP0.67
Rot. Bonds3

About [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate

[(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate (PubChem CID 10586687) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate
PubChem CID10586687
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name[(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1O
InChIInChI=1S/C13H15NO4/c1-9(15)18-11-7-12(16)14(13(11)17)8-10-5-3-2-4-6-10/h2-6,11,13,17H,7-8H2,1H3/t11-,13-/m0/s1
InChIKeyZCJLSHFSNJDCDM-AAEUAGOBSA-N
XLogP0.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 519682
1-Benzyl-4-hydroxypyrrolidin-2-one
CID 9920606
(4S)-1-Benzyl-4-hydroxypyrrolidin-2-one
CID 11074227
(1R,5S,7R)-3-benzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 23643104
(3R)-1-benzyl-3,4-dihydroxy-pyrrolidine-2,5-dione
CID 353976
(5S)-5-(Hydroxymethyl)-3-[(1R)-1-phenylethyl]-2-oxazolidinone
CID 728617
(3R,4S)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729942
(3S,4S)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729944
[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl] acetate
CID 1512523
(3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
CID 10889408

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate?
The IUPAC name of [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate (CID 10586687) is [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate is CC(=O)O[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1O.
What is the InChIKey of [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate?
The InChIKey is ZCJLSHFSNJDCDM-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(15)18-11-7-12(16)14(13(11)17)8-10-5-3-2-4-6-10/h2-6,11,13,17H,7-8H2,1H3/t11-,13-/m0/s1.
What are the key properties of [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate?
[(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate has a molecular weight of 249.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 10586687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).