[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate

C20H21NO3S — CID 8821241

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
SMILESC[C@@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C20H21NO3S/c1-14(19(22)21-16-12-13-16)24-20(23)18(15-8-4-2-5-9-15)25-17-10-6-3-7-11-17/h2-11,14,16,18H,12-13H2,1H3,(H,21,22)/t14-,18-/m1/s1
InChIKeyBWAZKICNUXSUST-RDTXWAMCSA-N
MW355.46 g/mol
LogP3.73
Rot. Bonds7

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 8821241) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
PubChem CID8821241
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
SMILESC[C@@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C20H21NO3S/c1-14(19(22)21-16-12-13-16)24-20(23)18(15-8-4-2-5-9-15)25-17-10-6-3-7-11-17/h2-11,14,16,18H,12-13H2,1H3,(H,21,22)/t14-,18-/m1/s1
InChIKeyBWAZKICNUXSUST-RDTXWAMCSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979821
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842838
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842858
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821236
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842871
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842813
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46658533
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940575

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate (CID 8821241) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate is C[C@@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is BWAZKICNUXSUST-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-14(19(22)21-16-12-13-16)24-20(23)18(15-8-4-2-5-9-15)25-17-10-6-3-7-11-17/h2-11,14,16,18H,12-13H2,1H3,(H,21,22)/t14-,18-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 355.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 8821241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).