ethyl 3-(2-aminobutylsulfamoyl)propanoate

C9H20N2O4S — CID 63730554

IUPACethyl 3-(2-aminobutylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCC(N)CC
InChIInChI=1S/C9H20N2O4S/c1-3-8(10)7-11-16(13,14)6-5-9(12)15-4-2/h8,11H,3-7,10H2,1-2H3
InChIKeyYOOIYJOYSYWPIB-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.40
Rot. Bonds8

About ethyl 3-(2-aminobutylsulfamoyl)propanoate

ethyl 3-(2-aminobutylsulfamoyl)propanoate (PubChem CID 63730554) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is ethyl 3-(2-aminobutylsulfamoyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-aminobutylsulfamoyl)propanoate
PubChem CID63730554
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Nameethyl 3-(2-aminobutylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCC(N)CC
InChIInChI=1S/C9H20N2O4S/c1-3-8(10)7-11-16(13,14)6-5-9(12)15-4-2/h8,11H,3-7,10H2,1-2H3
InChIKeyYOOIYJOYSYWPIB-UHFFFAOYSA-N
XLogP-0.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methylbutanoic acid
CID 81065562
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
CID 103844785
ethyl 3-(2-cyanoethylsulfamoyl)propanoate
CID 62653299
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
methyl 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
CID 61459214
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
CID 79457741
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
CID 54951121
ethyl 3-[(4-hydroxyphenyl)sulfamoyl]propanoate
CID 54951576
ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
CID 54951727

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminobutylsulfamoyl)propanoate?
The IUPAC name of ethyl 3-(2-aminobutylsulfamoyl)propanoate (CID 63730554) is ethyl 3-(2-aminobutylsulfamoyl)propanoate.
What is the SMILES notation for ethyl 3-(2-aminobutylsulfamoyl)propanoate?
The canonical SMILES for ethyl 3-(2-aminobutylsulfamoyl)propanoate is CCOC(=O)CCS(=O)(=O)NCC(N)CC.
What is the InChIKey of ethyl 3-(2-aminobutylsulfamoyl)propanoate?
The InChIKey is YOOIYJOYSYWPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-3-8(10)7-11-16(13,14)6-5-9(12)15-4-2/h8,11H,3-7,10H2,1-2H3.
What are the key properties of ethyl 3-(2-aminobutylsulfamoyl)propanoate?
ethyl 3-(2-aminobutylsulfamoyl)propanoate has a molecular weight of 252.34 g/mol, XLogP of -0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminobutylsulfamoyl)propanoate is sourced from PubChem (CID 63730554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).