methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate

C12H15NO3 — CID 173061877

IUPACmethyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate
SMILESCOC(=O)O[C@H]1NCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-15-12(14)16-11-10(7-8-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11-/m1/s1
InChIKeyGCAZHTARXHJSSX-GHMZBOCLSA-N
MW221.26 g/mol
LogP1.87
Rot. Bonds2

About methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate

methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate (PubChem CID 173061877) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate
PubChem CID173061877
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate
SMILESCOC(=O)O[C@H]1NCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-15-12(14)16-11-10(7-8-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11-/m1/s1
InChIKeyGCAZHTARXHJSSX-GHMZBOCLSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate 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 methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate?
The IUPAC name of methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate (CID 173061877) is methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate.
What is the SMILES notation for methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate?
The canonical SMILES for methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate is COC(=O)O[C@H]1NCC[C@@H]1c1ccccc1.
What is the InChIKey of methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate?
The InChIKey is GCAZHTARXHJSSX-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-12(14)16-11-10(7-8-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate?
methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate has a molecular weight of 221.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate is sourced from PubChem (CID 173061877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).