tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate

C24H29NO3 — CID 58208794

IUPACtert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H29NO3/c1-24(2,3)28-23(27)25-15-9-14-21(25)22(26)17-20-13-8-7-12-19(20)16-18-10-5-4-6-11-18/h4-8,10-13,21H,9,14-17H2,1-3H3/t21-/m0/s1
InChIKeyIDOVDSNLDFNMAV-NRFANRHFSA-N
MW379.50 g/mol
LogP4.79
Rot. Bonds5

About tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate (PubChem CID 58208794) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate
PubChem CID58208794
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Nametert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H29NO3/c1-24(2,3)28-23(27)25-15-9-14-21(25)22(26)17-20-13-8-7-12-19(20)16-18-10-5-4-6-11-18/h4-8,10-13,21H,9,14-17H2,1-3H3/t21-/m0/s1
InChIKeyIDOVDSNLDFNMAV-NRFANRHFSA-N
XLogP4.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-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 tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate (CID 58208794) is tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1ccccc1Cc1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate?
The InChIKey is IDOVDSNLDFNMAV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29NO3/c1-24(2,3)28-23(27)25-15-9-14-21(25)22(26)17-20-13-8-7-12-19(20)16-18-10-5-4-6-11-18/h4-8,10-13,21H,9,14-17H2,1-3H3/t21-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[2-(2-benzylphenyl)acetyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58208794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).