tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate

C22H27NO3 — CID 24867804

IUPACtert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-21(2,3)26-20(24)23-16-10-15-19(23)22(25,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,25H,10,15-16H2,1-3H3/t19-/m0/s1
InChIKeyIRUWVJPUDXOJLJ-IBGZPJMESA-N
MW353.46 g/mol
LogP4.32
Rot. Bonds3

About tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 24867804) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
PubChem CID24867804
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Nametert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-21(2,3)26-20(24)23-16-10-15-19(23)22(25,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,25H,10,15-16H2,1-3H3/t19-/m0/s1
InChIKeyIRUWVJPUDXOJLJ-IBGZPJMESA-N
XLogP4.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate (CID 24867804) is tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is IRUWVJPUDXOJLJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27NO3/c1-21(2,3)26-20(24)23-16-10-15-19(23)22(25,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,25H,10,15-16H2,1-3H3/t19-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 24867804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).