methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate

C19H26N2O7 — CID 55609562

IUPACmethyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C19H26N2O7/c1-19(2,18(24)28-6)20-17(23)11-7-15(22)21(10-11)12-8-13(25-3)16(27-5)14(9-12)26-4/h8-9,11H,7,10H2,1-6H3,(H,20,23)
InChIKeySYXWUJJUWMKCIQ-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.13
Rot. Bonds7

About methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate

methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate (PubChem CID 55609562) has the molecular formula C19H26N2O7 and a molecular weight of 394.42 g/mol. Its IUPAC name is methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
PubChem CID55609562
Molecular FormulaC19H26N2O7
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Namemethyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C19H26N2O7/c1-19(2,18(24)28-6)20-17(23)11-7-15(22)21(10-11)12-8-13(25-3)16(27-5)14(9-12)26-4/h8-9,11H,7,10H2,1-6H3,(H,20,23)
InChIKeySYXWUJJUWMKCIQ-UHFFFAOYSA-N
XLogP1.13
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119571436
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55628616
(3R)-N-(4-methylsulfonylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 30840186
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
CID 56502479
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate (CID 55609562) is methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate?
The InChIKey is SYXWUJJUWMKCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O7/c1-19(2,18(24)28-6)20-17(23)11-7-15(22)21(10-11)12-8-13(25-3)16(27-5)14(9-12)26-4/h8-9,11H,7,10H2,1-6H3,(H,20,23).
What are the key properties of methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate?
methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate has a molecular weight of 394.42 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 55609562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).