tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate

C24H28N2O4S — CID 101067193

IUPACtert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@H]1Sc1ccccc1
InChIInChI=1S/C24H28N2O4S/c1-24(2,3)30-23(29)25-19(16-17-10-6-4-7-11-17)21(28)26-15-14-20(27)22(26)31-18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3,(H,25,29)/t19-,22-/m1/s1
InChIKeyJHHZKKVMHFMOCZ-DENIHFKCSA-N
MW440.57 g/mol
LogP4.04
Rot. Bonds6

About tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate (PubChem CID 101067193) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate
PubChem CID101067193
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@H]1Sc1ccccc1
InChIInChI=1S/C24H28N2O4S/c1-24(2,3)30-23(29)25-19(16-17-10-6-4-7-11-17)21(28)26-15-14-20(27)22(26)31-18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3,(H,25,29)/t19-,22-/m1/s1
InChIKeyJHHZKKVMHFMOCZ-DENIHFKCSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

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tert-butyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
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tert-butyl (2S,3R)-3-(2-amino-2-oxoethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate (CID 101067193) is tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@H]1Sc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The InChIKey is JHHZKKVMHFMOCZ-DENIHFKCSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-24(2,3)30-23(29)25-19(16-17-10-6-4-7-11-17)21(28)26-15-14-20(27)22(26)31-18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3,(H,25,29)/t19-,22-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate has a molecular weight of 440.57 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-[(2R)-3-oxo-2-phenylsulfanylpyrrolidin-1-yl]-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 101067193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).