tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate

C10H19NO2 — CID 122163556

IUPACtert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
SMILESC[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1
InChIInChI=1S/C10H19NO2/c1-7-5-6-8(11-7)9(12)13-10(2,3)4/h7-8,11H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyWFOKGSGEJVJMFD-HTQZYQBOSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds1

About tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate

tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate (PubChem CID 122163556) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
PubChem CID122163556
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
SMILESC[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1
InChIInChI=1S/C10H19NO2/c1-7-5-6-8(11-7)9(12)13-10(2,3)4/h7-8,11H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyWFOKGSGEJVJMFD-HTQZYQBOSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R,5R)-5-methylpyrrolidine-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 (2R,5R)-5-methylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate (CID 122163556) is tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate is C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1.
What is the InChIKey of tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate?
The InChIKey is WFOKGSGEJVJMFD-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-5-6-8(11-7)9(12)13-10(2,3)4/h7-8,11H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate?
tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 122163556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).