dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate

C16H19NO6 — CID 11023670

IUPACdimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](Cc2cccc(OC)c2)C(=O)N1C(=O)OC
InChIInChI=1S/C16H19NO6/c1-21-12-6-4-5-10(8-12)7-11-9-13(15(19)22-2)17(14(11)18)16(20)23-3/h4-6,8,11,13H,7,9H2,1-3H3/t11-,13+/m1/s1
InChIKeyJYBHOOCCFKKSSG-YPMHNXCESA-N
MW321.33 g/mol
LogP1.39
Rot. Bonds4

About dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate

dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11023670) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11023670
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Namedimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](Cc2cccc(OC)c2)C(=O)N1C(=O)OC
InChIInChI=1S/C16H19NO6/c1-21-12-6-4-5-10(8-12)7-11-9-13(15(19)22-2)17(14(11)18)16(20)23-3/h4-6,8,11,13H,7,9H2,1-3H3/t11-,13+/m1/s1
InChIKeyJYBHOOCCFKKSSG-YPMHNXCESA-N
XLogP1.39
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate 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

dimethyl (2S,4R)-4-[(3-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 11046876
dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11782796
dimethyl (2S,4R)-4-[(E)-3-(3-methoxyphenyl)prop-2-enyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 11824206
3-[(3-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 64909880
methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
CID 107850027
(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 932254
1-ethyl-3-[(3-methoxyphenyl)methyl]-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
CID 67684924
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
methyl 1-(3-methoxyphenyl)sulfonylaziridine-2-carboxylate
CID 86623479
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
CID 11580724

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate (CID 11023670) is dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@@H](Cc2cccc(OC)c2)C(=O)N1C(=O)OC.
What is the InChIKey of dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is JYBHOOCCFKKSSG-YPMHNXCESA-N. The full InChI is InChI=1S/C16H19NO6/c1-21-12-6-4-5-10(8-12)7-11-9-13(15(19)22-2)17(14(11)18)16(20)23-3/h4-6,8,11,13H,7,9H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate?
dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 321.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11023670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).