tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate

C15H20N2O3 — CID 69483386

IUPACtert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(C2(N)CCNC2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-14(2,3)20-12(18)10-4-6-11(7-5-10)15(16)8-9-17-13(15)19/h4-7H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyZAFPGEPQQLGFLZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate

tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate (PubChem CID 69483386) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate
PubChem CID69483386
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(C2(N)CCNC2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-14(2,3)20-12(18)10-4-6-11(7-5-10)15(16)8-9-17-13(15)19/h4-7H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyZAFPGEPQQLGFLZ-UHFFFAOYSA-N
XLogP1.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate?
The IUPAC name of tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate (CID 69483386) is tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate.
What is the SMILES notation for tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate?
The canonical SMILES for tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate is CC(C)(C)OC(=O)c1ccc(C2(N)CCNC2=O)cc1.
What is the InChIKey of tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate?
The InChIKey is ZAFPGEPQQLGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14(2,3)20-12(18)10-4-6-11(7-5-10)15(16)8-9-17-13(15)19/h4-7H,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate?
tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-2-oxopyrrolidin-3-yl)benzoate is sourced from PubChem (CID 69483386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).