methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate

C8H17NO6S — CID 66177756

IUPACmethyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(O)CO
InChIInChI=1S/C8H17NO6S/c1-15-8(12)3-2-4-16(13,14)9-5-7(11)6-10/h7,9-11H,2-6H2,1H3
InChIKeyFFJRWMMOFYWYOQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP-1.79
Rot. Bonds8

About methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate

methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate (PubChem CID 66177756) has the molecular formula C8H17NO6S and a molecular weight of 255.29 g/mol. Its IUPAC name is methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
PubChem CID66177756
Molecular FormulaC8H17NO6S
Molecular Weight255.29 g/mol
Exact Mass255.08
IUPAC Namemethyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(O)CO
InChIInChI=1S/C8H17NO6S/c1-15-8(12)3-2-4-16(13,14)9-5-7(11)6-10/h7,9-11H,2-6H2,1H3
InChIKeyFFJRWMMOFYWYOQ-UHFFFAOYSA-N
XLogP-1.79
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864
methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
CID 79547273
methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 112691943
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 4-(prop-2-enylsulfamoyl)butanoate
CID 61460361
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 107835237
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate (CID 66177756) is methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NCC(O)CO.
What is the InChIKey of methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate?
The InChIKey is FFJRWMMOFYWYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO6S/c1-15-8(12)3-2-4-16(13,14)9-5-7(11)6-10/h7,9-11H,2-6H2,1H3.
What are the key properties of methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate?
methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate has a molecular weight of 255.29 g/mol, XLogP of -1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate is sourced from PubChem (CID 66177756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).