ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate

C15H19NO4 — CID 139078707

IUPACethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](O)C(=O)N(Cc2ccccc2)[C@@H]1C
InChIInChI=1S/C15H19NO4/c1-3-20-15(19)12-10(2)16(14(18)13(12)17)9-11-7-5-4-6-8-11/h4-8,10,12-13,17H,3,9H2,1-2H3/t10-,12-,13+/m1/s1
InChIKeyUIYDIAMETIDYDW-RTXFEEFZSA-N
MW277.32 g/mol
LogP0.96
Rot. Bonds4

About ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate

ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 139078707) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate
PubChem CID139078707
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](O)C(=O)N(Cc2ccccc2)[C@@H]1C
InChIInChI=1S/C15H19NO4/c1-3-20-15(19)12-10(2)16(14(18)13(12)17)9-11-7-5-4-6-8-11/h4-8,10,12-13,17H,3,9H2,1-2H3/t10-,12-,13+/m1/s1
InChIKeyUIYDIAMETIDYDW-RTXFEEFZSA-N
XLogP0.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

Ethyl 1-benzyl-4,5-dioxopyrrolidine-3-carboxylate
CID 219271
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
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
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
ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 134786359
ethyl (3R,4S)-1-benzyl-3-hydroxy-2-oxo-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 132460719
ethyl (3R,4S)-1-benzyl-8-(3-ethoxy-3-oxopropanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 134786234
ethyl (3R,4S)-1-benzyl-8-(2-ethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 134786288

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate (CID 139078707) is ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate is CCOC(=O)[C@H]1[C@H](O)C(=O)N(Cc2ccccc2)[C@@H]1C.
What is the InChIKey of ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is UIYDIAMETIDYDW-RTXFEEFZSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-20-15(19)12-10(2)16(14(18)13(12)17)9-11-7-5-4-6-8-11/h4-8,10,12-13,17H,3,9H2,1-2H3/t10-,12-,13+/m1/s1.
What are the key properties of ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate?
ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4S)-1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 139078707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).