tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate

C10H17NO3 — CID 14736418

IUPACtert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate
SMILESCC1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-7-5-6-8(12)11(7)9(13)14-10(2,3)4/h7H,5-6H2,1-4H3
InChIKeyXEEYKPKCVNDLCR-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.93
Rot. Bonds

About tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate

tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 14736418) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate
PubChem CID14736418
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate
SMILESCC1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-7-5-6-8(12)11(7)9(13)14-10(2,3)4/h7H,5-6H2,1-4H3
InChIKeyXEEYKPKCVNDLCR-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate (CID 14736418) is tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate is CC1CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is XEEYKPKCVNDLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-5-6-8(12)11(7)9(13)14-10(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate?
tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 14736418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).