methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate

C15H21NO5S — CID 100752212

IUPACmethyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate
SMILESCOC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C15H21NO5S/c1-10(15(18)21-4)12(3)22(19,20)16-14(17)11(2)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,16,17)/t10-,11+,12+/m0/s1
InChIKeyYUDKDSZFXLQGHP-QJPTWQEYSA-N
MW327.40 g/mol
LogP1.43
Rot. Bonds6

About methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate

methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate (PubChem CID 100752212) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate
PubChem CID100752212
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Namemethyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate
SMILESCOC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C15H21NO5S/c1-10(15(18)21-4)12(3)22(19,20)16-14(17)11(2)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,16,17)/t10-,11+,12+/m0/s1
InChIKeyYUDKDSZFXLQGHP-QJPTWQEYSA-N
XLogP1.43
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-phenylpropanoate;sulfuryl dichloride
CID 174591515
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
methyl (2S,3R)-3-[[(2R)-2-(2-cyanophenoxy)-3-methylbutanoyl]sulfamoyl]-2-methylbutanoate
CID 99800406
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221
methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate
CID 129359128
methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate
CID 167842895
(2S)-2-phenyl-N-sulfanylpropanamide
CID 146642681
methyl (2S,3S)-3-[(2-chlorofuran-3-carbonyl)sulfamoyl]-2-methylbutanoate
CID 100752220
methyl 2-phenyl-2-(trifluoromethylsulfonyloxy)acetate
CID 14104123

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate?
The IUPAC name of methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate (CID 100752212) is methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate.
What is the SMILES notation for methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate?
The canonical SMILES for methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate is COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@H](C)c1ccccc1.
What is the InChIKey of methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate?
The InChIKey is YUDKDSZFXLQGHP-QJPTWQEYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-10(15(18)21-4)12(3)22(19,20)16-14(17)11(2)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,16,17)/t10-,11+,12+/m0/s1.
What are the key properties of methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate?
methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate has a molecular weight of 327.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate is sourced from PubChem (CID 100752212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).