methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate

C15H18N2O4 — CID 168693037

IUPACmethyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(C)ccc2NC(C)=O)C1
InChIInChI=1S/C15H18N2O4/c1-9-4-5-12(16-10(2)18)13(6-9)17-8-11(7-14(17)19)15(20)21-3/h4-6,11H,7-8H2,1-3H3,(H,16,18)
InChIKeyOXYMVGZTFFBPLU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.48
Rot. Bonds3

About methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693037) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693037
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(C)ccc2NC(C)=O)C1
InChIInChI=1S/C15H18N2O4/c1-9-4-5-12(16-10(2)18)13(6-9)17-8-11(7-14(17)19)15(20)21-3/h4-6,11H,7-8H2,1-3H3,(H,16,18)
InChIKeyOXYMVGZTFFBPLU-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
methyl 1-(5-methyl-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693696
1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690527
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693752
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
ethyl (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075680
2-methylprop-2-enyl 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 78831303
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585
(4-methoxyphenyl) 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42999797

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 168693037) is methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cc(C)ccc2NC(C)=O)C1.
What is the InChIKey of methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is OXYMVGZTFFBPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-4-5-12(16-10(2)18)13(6-9)17-8-11(7-14(17)19)15(20)21-3/h4-6,11H,7-8H2,1-3H3,(H,16,18).
What are the key properties of methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).