methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate

C12H17NO6S — CID 50906677

IUPACmethyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1ccc(OC)cc1)[C@H](C)O
InChIInChI=1S/C12H17NO6S/c1-8(14)11(12(15)19-3)13-20(16,17)10-6-4-9(18-2)5-7-10/h4-8,11,13-14H,1-3H3/t8-,11+/m0/s1
InChIKeyYYJIXMSAFSYQRO-GZMMTYOYSA-N
MW303.34 g/mol
LogP-0.10
Rot. Bonds6

About methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate

methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate (PubChem CID 50906677) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
PubChem CID50906677
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Namemethyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1ccc(OC)cc1)[C@H](C)O
InChIInChI=1S/C12H17NO6S/c1-8(14)11(12(15)19-3)13-20(16,17)10-6-4-9(18-2)5-7-10/h4-8,11,13-14H,1-3H3/t8-,11+/m0/s1
InChIKeyYYJIXMSAFSYQRO-GZMMTYOYSA-N
XLogP-0.10
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 2104038
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 50907085
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
methyl 4-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoate
CID 40855028
methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate
CID 17411637
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2411284
2-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358741

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate?
The IUPAC name of methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate (CID 50906677) is methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate.
What is the SMILES notation for methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate?
The canonical SMILES for methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate is COC(=O)[C@H](NS(=O)(=O)c1ccc(OC)cc1)[C@H](C)O.
What is the InChIKey of methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate?
The InChIKey is YYJIXMSAFSYQRO-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-8(14)11(12(15)19-3)13-20(16,17)10-6-4-9(18-2)5-7-10/h4-8,11,13-14H,1-3H3/t8-,11+/m0/s1.
What are the key properties of methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate?
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate has a molecular weight of 303.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate is sourced from PubChem (CID 50906677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).