benzyl 2-benzylpyrrolidine-2-carboxylate

C19H21NO2 — CID 46884703

IUPACbenzyl 2-benzylpyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1(Cc2ccccc2)CCCN1
InChIInChI=1S/C19H21NO2/c21-18(22-15-17-10-5-2-6-11-17)19(12-7-13-20-19)14-16-8-3-1-4-9-16/h1-6,8-11,20H,7,12-15H2
InChIKeyBDPKTKITZAYETJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.09
Rot. Bonds5

About benzyl 2-benzylpyrrolidine-2-carboxylate

benzyl 2-benzylpyrrolidine-2-carboxylate (PubChem CID 46884703) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl 2-benzylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzylpyrrolidine-2-carboxylate
PubChem CID46884703
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl 2-benzylpyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1(Cc2ccccc2)CCCN1
InChIInChI=1S/C19H21NO2/c21-18(22-15-17-10-5-2-6-11-17)19(12-7-13-20-19)14-16-8-3-1-4-9-16/h1-6,8-11,20H,7,12-15H2
InChIKeyBDPKTKITZAYETJ-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 2-benzylpyrrolidine-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 benzyl 2-benzylpyrrolidine-2-carboxylate?
The IUPAC name of benzyl 2-benzylpyrrolidine-2-carboxylate (CID 46884703) is benzyl 2-benzylpyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl 2-benzylpyrrolidine-2-carboxylate?
The canonical SMILES for benzyl 2-benzylpyrrolidine-2-carboxylate is O=C(OCc1ccccc1)C1(Cc2ccccc2)CCCN1.
What is the InChIKey of benzyl 2-benzylpyrrolidine-2-carboxylate?
The InChIKey is BDPKTKITZAYETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(22-15-17-10-5-2-6-11-17)19(12-7-13-20-19)14-16-8-3-1-4-9-16/h1-6,8-11,20H,7,12-15H2.
What are the key properties of benzyl 2-benzylpyrrolidine-2-carboxylate?
benzyl 2-benzylpyrrolidine-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzylpyrrolidine-2-carboxylate is sourced from PubChem (CID 46884703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).