1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate

C14H24N2O5 — CID 172880309

IUPAC1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)C1(NC(C)=O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-6-20-11(18)14(15-10(2)17)8-7-9-16(14)12(19)21-13(3,4)5/h6-9H2,1-5H3,(H,15,17)
InChIKeyHWJFQJUFDZSION-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.41
Rot. Bonds3

About 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate (PubChem CID 172880309) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate
PubChem CID172880309
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)C1(NC(C)=O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-6-20-11(18)14(15-10(2)17)8-7-9-16(14)12(19)21-13(3,4)5/h6-9H2,1-5H3,(H,15,17)
InChIKeyHWJFQJUFDZSION-UHFFFAOYSA-N
XLogP1.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate (CID 172880309) is 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate is CCOC(=O)C1(NC(C)=O)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate?
The InChIKey is HWJFQJUFDZSION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-6-20-11(18)14(15-10(2)17)8-7-9-16(14)12(19)21-13(3,4)5/h6-9H2,1-5H3,(H,15,17).
What are the key properties of 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-ethyl 2-acetamidopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 172880309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).