tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate

C11H21NO3 — CID 134691185

IUPACtert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate
SMILESCOCC1(C(=O)OC(C)(C)C)CCCN1
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(13)11(8-14-4)6-5-7-12-11/h12H,5-8H2,1-4H3
InChIKeyFQLWNKBKAOWIOM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate

tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate (PubChem CID 134691185) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate
PubChem CID134691185
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate
SMILESCOCC1(C(=O)OC(C)(C)C)CCCN1
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(13)11(8-14-4)6-5-7-12-11/h12H,5-8H2,1-4H3
InChIKeyFQLWNKBKAOWIOM-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(methoxymethyl)pyrrolidine-2-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 tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate (CID 134691185) is tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate is COCC1(C(=O)OC(C)(C)C)CCCN1.
What is the InChIKey of tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is FQLWNKBKAOWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)11(8-14-4)6-5-7-12-11/h12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate?
tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 134691185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).