methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate

C15H20N2O6S — CID 75443856

IUPACmethyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
SMILESCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1C
InChIInChI=1S/C15H20N2O6S/c1-10-8-11(17-7-3-4-14(17)19)5-6-13(10)24(21,22)16-12(9-18)15(20)23-2/h5-6,8,12,16,18H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyFXRCKZFIEQGOLN-LBPRGKRZSA-N
MW356.40 g/mol
LogP-0.07
Rot. Bonds6

About methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate

methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate (PubChem CID 75443856) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
PubChem CID75443856
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Namemethyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
SMILESCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1C
InChIInChI=1S/C15H20N2O6S/c1-10-8-11(17-7-3-4-14(17)19)5-6-13(10)24(21,22)16-12(9-18)15(20)23-2/h5-6,8,12,16,18H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyFXRCKZFIEQGOLN-LBPRGKRZSA-N
XLogP-0.07
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate with MolForge

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Related Compounds

2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51126451
tert-butyl 4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-3-methylbenzoate
CID 54114228
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
ethyl (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
CID 29093438
N-(2-ethoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86848405
(4-acetamidophenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769081
N-(2-chloro-4-methoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86858451
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
N,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47081395
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 52508786
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate (CID 75443856) is methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate is COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1C.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate?
The InChIKey is FXRCKZFIEQGOLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-10-8-11(17-7-3-4-14(17)19)5-6-13(10)24(21,22)16-12(9-18)15(20)23-2/h5-6,8,12,16,18H,3-4,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate?
methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate has a molecular weight of 356.40 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate is sourced from PubChem (CID 75443856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).