2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate

C10H17NO3 — CID 58571761

IUPAC2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-4-10(2,3)14-9(13)11-7-5-6-8(11)12/h4-7H2,1-3H3
InChIKeyRKJAYLMZNNRWTI-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.93
Rot. Bonds2

About 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate

2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate (PubChem CID 58571761) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate
PubChem CID58571761
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-4-10(2,3)14-9(13)11-7-5-6-8(11)12/h4-7H2,1-3H3
InChIKeyRKJAYLMZNNRWTI-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate (CID 58571761) is 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCCC1=O.
What is the InChIKey of 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is RKJAYLMZNNRWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-10(2,3)14-9(13)11-7-5-6-8(11)12/h4-7H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate?
2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 58571761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).