methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate

C14H16N2O4 — CID 9068811

IUPACmethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN2CCCC2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-20-14(19)10-4-6-11(7-5-10)15-12(17)9-16-8-2-3-13(16)18/h4-7H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyNMFJRBZIHLYXTJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.03
Rot. Bonds4

About methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate

methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate (PubChem CID 9068811) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
PubChem CID9068811
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN2CCCC2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-20-14(19)10-4-6-11(7-5-10)15-12(17)9-16-8-2-3-13(16)18/h4-7H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyNMFJRBZIHLYXTJ-UHFFFAOYSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
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4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
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methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
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methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
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N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
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methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
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methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
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N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
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CID 99588705

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate (CID 9068811) is methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN2CCCC2=O)cc1.
What is the InChIKey of methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate?
The InChIKey is NMFJRBZIHLYXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-20-14(19)10-4-6-11(7-5-10)15-12(17)9-16-8-2-3-13(16)18/h4-7H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate?
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate has a molecular weight of 276.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 9068811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).