ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate

C17H23NO4 — CID 139232619

IUPACethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1(C)C(=O)N(Cc2ccccc2)[C@H](C)C1O
InChIInChI=1S/C17H23NO4/c1-4-22-14(19)10-17(3)15(20)12(2)18(16(17)21)11-13-8-6-5-7-9-13/h5-9,12,15,20H,4,10-11H2,1-3H3/t12-,15?,17?/m1/s1
InChIKeyLFFQWFRUYQZFER-OLJMKKDRSA-N
MW305.37 g/mol
LogP1.74
Rot. Bonds5

About ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate

ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate (PubChem CID 139232619) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
PubChem CID139232619
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1(C)C(=O)N(Cc2ccccc2)[C@H](C)C1O
InChIInChI=1S/C17H23NO4/c1-4-22-14(19)10-17(3)15(20)12(2)18(16(17)21)11-13-8-6-5-7-9-13/h5-9,12,15,20H,4,10-11H2,1-3H3/t12-,15?,17?/m1/s1
InChIKeyLFFQWFRUYQZFER-OLJMKKDRSA-N
XLogP1.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-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

1-O-[[(2R)-1-[(2S)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]pyrrolidin-2-yl]methyl] 4-O-tert-butyl (2S)-2-prop-2-enylbutanedioate
CID 44201530
N-benzyl-2-[(3R,5Z,14R)-2,11-dioxo-12-oxa-1-azabicyclo[12.3.0]heptadec-5-en-3-yl]-N-(2-hydroxyethyl)acetamide
CID 44201784
tert-butyl 2-[(3R,5Z,8S,12R)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201641
1-O-[[(2R)-1-[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]pyrrolidin-2-yl]methyl] 4-O-tert-butyl (2R)-2-prop-2-enylbutanedioate
CID 44201500
1-O-[[(2S)-1-[(2S)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]pyrrolidin-2-yl]methyl] 4-O-tert-butyl (2S)-2-prop-2-enylbutanedioate
CID 44201512
tert-butyl 2-[(3S,5Z,8R,12R)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201607
tert-butyl 2-[(3S,5Z,8R,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201642
tert-butyl 2-[(3R,5Z,8S,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201747
tert-butyl 2-[(3R,5Z,8R,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201757
1-O-[[(2R)-1-[(2S)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]pyrrolidin-2-yl]methyl] 4-O-tert-butyl (2R)-2-prop-2-enylbutanedioate
CID 44201838
tert-butyl 2-[(3S,5Z,8S,12R)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201878
tert-butyl 2-[(3S,5Z,8S,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201885

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate (CID 139232619) is ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate is CCOC(=O)CC1(C)C(=O)N(Cc2ccccc2)[C@H](C)C1O.
What is the InChIKey of ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate?
The InChIKey is LFFQWFRUYQZFER-OLJMKKDRSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-22-14(19)10-17(3)15(20)12(2)18(16(17)21)11-13-8-6-5-7-9-13/h5-9,12,15,20H,4,10-11H2,1-3H3/t12-,15?,17?/m1/s1.
What are the key properties of ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate?
ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate has a molecular weight of 305.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl]acetate is sourced from PubChem (CID 139232619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).