tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate

C18H24N2O4 — CID 67128323

IUPACtert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate
SMILESCC(C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1)N1CCCC1=O
InChIInChI=1S/C18H24N2O4/c1-12(20-11-5-6-15(20)21)16(22)19-14-9-7-13(8-10-14)17(23)24-18(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,19,22)
InChIKeyUPHKKKMLUMJXSM-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.59
Rot. Bonds4

About tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate

tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate (PubChem CID 67128323) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate
PubChem CID67128323
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nametert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate
SMILESCC(C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1)N1CCCC1=O
InChIInChI=1S/C18H24N2O4/c1-12(20-11-5-6-15(20)21)16(22)19-14-9-7-13(8-10-14)17(23)24-18(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,19,22)
InChIKeyUPHKKKMLUMJXSM-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
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(2R)-N-(2-methyl-3H-benzimidazol-5-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92604255
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
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2-(2-oxopyrrolidin-1-yl)propanehydrazide
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[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
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N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide
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[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
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ditert-butyl benzene-1,4-dicarboxylate;hydrazine
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tert-butyl 4-(hydroxyamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate?
The IUPAC name of tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate (CID 67128323) is tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate.
What is the SMILES notation for tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate?
The canonical SMILES for tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate is CC(C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1)N1CCCC1=O.
What is the InChIKey of tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate?
The InChIKey is UPHKKKMLUMJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(20-11-5-6-15(20)21)16(22)19-14-9-7-13(8-10-14)17(23)24-18(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate?
tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate has a molecular weight of 332.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate is sourced from PubChem (CID 67128323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).