methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate

C15H18N2O4 — CID 168693233

IUPACmethyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C15H18N2O4/c1-16(2)14(19)10-5-4-6-12(7-10)17-9-11(8-13(17)18)15(20)21-3/h4-7,11H,8-9H2,1-3H3
InChIKeyBAEAHRMZHWFNNL-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.91
Rot. Bonds3

About methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate

methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693233) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID168693233
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C15H18N2O4/c1-16(2)14(19)10-5-4-6-12(7-10)17-9-11(8-13(17)18)15(20)21-3/h4-7,11H,8-9H2,1-3H3
InChIKeyBAEAHRMZHWFNNL-UHFFFAOYSA-N
XLogP0.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 168699354
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168503934
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 5-oxo-1-[3-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxylate
CID 168695303
methyl 5-oxo-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-3-carboxylate
CID 168695288
methyl 1-[3-[3-[3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)phenoxy]-1,4-dioxonaphthalen-2-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxylate
CID 86573970
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189313
methyl 1-[4-[acetyl(methyl)amino]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693024
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168692932
methyl (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 94077453
1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55832891

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate (CID 168693233) is methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cccc(C(=O)N(C)C)c2)C1.
What is the InChIKey of methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BAEAHRMZHWFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16(2)14(19)10-5-4-6-12(7-10)17-9-11(8-13(17)18)15(20)21-3/h4-7,11H,8-9H2,1-3H3.
What are the key properties of methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).