ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate

C10H21NO5S — CID 64557036

IUPACethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(C)(CC)CO
InChIInChI=1S/C10H21NO5S/c1-4-10(3,8-12)11-17(14,15)7-6-9(13)16-5-2/h11-12H,4-8H2,1-3H3
InChIKeyBNTKJPAMXDZDQQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.02
Rot. Bonds8

About ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate

ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate (PubChem CID 64557036) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
PubChem CID64557036
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Nameethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(C)(CC)CO
InChIInChI=1S/C10H21NO5S/c1-4-10(3,8-12)11-17(14,15)7-6-9(13)16-5-2/h11-12H,4-8H2,1-3H3
InChIKeyBNTKJPAMXDZDQQ-UHFFFAOYSA-N
XLogP0.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]propanoate
CID 115310020
ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate
CID 63888007
ethyl 3-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]propanoate
CID 54951322
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
CID 103844785
methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate
CID 106169758
ethyl 3-(3-cyanopentan-3-ylsulfamoyl)propanoate
CID 54951320
ethyl 3-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]propanoate
CID 115310691
N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 64556421
1-hydroxy-2-methyl-2-(sulfamoylamino)butane
CID 112696365
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
ethyl 3-methylsulfonylpropanoate
CID 58565961

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate (CID 64557036) is ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NC(C)(CC)CO.
What is the InChIKey of ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate?
The InChIKey is BNTKJPAMXDZDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-4-10(3,8-12)11-17(14,15)7-6-9(13)16-5-2/h11-12H,4-8H2,1-3H3.
What are the key properties of ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate?
ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate has a molecular weight of 267.35 g/mol, XLogP of 0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate is sourced from PubChem (CID 64557036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).