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

C23H27NO3 — CID 58208731

IUPACtert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-15-9-14-20(24)21(25)16-18-12-7-8-13-19(18)17-10-5-4-6-11-17/h4-8,10-13,20H,9,14-16H2,1-3H3/t20-/m0/s1
InChIKeyIQWOXBSSUNEZHT-FQEVSTJZSA-N
MW365.47 g/mol
LogP4.86
Rot. Bonds4

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

tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate (PubChem CID 58208731) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate
PubChem CID58208731
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nametert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-15-9-14-20(24)21(25)16-18-12-7-8-13-19(18)17-10-5-4-6-11-17/h4-8,10-13,20H,9,14-16H2,1-3H3/t20-/m0/s1
InChIKeyIQWOXBSSUNEZHT-FQEVSTJZSA-N
XLogP4.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate (CID 58208731) is tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1ccccc1-c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate?
The InChIKey is IQWOXBSSUNEZHT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-15-9-14-20(24)21(25)16-18-12-7-8-13-19(18)17-10-5-4-6-11-17/h4-8,10-13,20H,9,14-16H2,1-3H3/t20-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[2-(2-phenylphenyl)acetyl]pyrrolidine-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 4.86, 4 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-phenylphenyl)acetyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58208731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).