[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate

C19H19NO4S — CID 11927503

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
SMILESC[S@](=O)c1ccccc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H19NO4S/c1-25(23)16-10-6-5-9-15(16)19(22)24-17(13-7-3-2-4-8-13)18(21)20-14-11-12-14/h2-10,14,17H,11-12H2,1H3,(H,20,21)/t17-,25+/m1/s1
InChIKeyLZPMPVMGIZSWDF-NSYGIPOTSA-N
MW357.43 g/mol
LogP2.60
Rot. Bonds6

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate (PubChem CID 11927503) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
PubChem CID11927503
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
SMILESC[S@](=O)c1ccccc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H19NO4S/c1-25(23)16-10-6-5-9-15(16)19(22)24-17(13-7-3-2-4-8-13)18(21)20-14-11-12-14/h2-10,14,17H,11-12H2,1H3,(H,20,21)/t17-,25+/m1/s1
InChIKeyLZPMPVMGIZSWDF-NSYGIPOTSA-N
XLogP2.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate with MolForge

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Related Compounds

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927180
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835492
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 18198939
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11927258
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 46827409
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927150
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-acetamido-2-hydroxybenzoate
CID 95048471

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate (CID 11927503) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate is C[S@](=O)c1ccccc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate?
The InChIKey is LZPMPVMGIZSWDF-NSYGIPOTSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-25(23)16-10-6-5-9-15(16)19(22)24-17(13-7-3-2-4-8-13)18(21)20-14-11-12-14/h2-10,14,17H,11-12H2,1H3,(H,20,21)/t17-,25+/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate has a molecular weight of 357.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate is sourced from PubChem (CID 11927503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).