methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate

C8H16N2O5S — CID 61460199

IUPACmethyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)C(N)=O
InChIInChI=1S/C8H16N2O5S/c1-6(8(9)12)10-16(13,14)5-3-4-7(11)15-2/h6,10H,3-5H2,1-2H3,(H2,9,12)
InChIKeyQQVMVTMRASRDCF-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.27
Rot. Bonds7

About methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate

methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate (PubChem CID 61460199) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
PubChem CID61460199
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Namemethyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)C(N)=O
InChIInChI=1S/C8H16N2O5S/c1-6(8(9)12)10-16(13,14)5-3-4-7(11)15-2/h6,10H,3-5H2,1-2H3,(H2,9,12)
InChIKeyQQVMVTMRASRDCF-UHFFFAOYSA-N
XLogP-1.27
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid
CID 104935127
methyl 4-(hexan-2-ylsulfamoyl)butanoate
CID 62200961
methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]sulfamoyl]butanoate
CID 61477235
methyl 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)butanoate
CID 104854823
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
CID 65192511
methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
CID 64994359
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
methyl 4-[methyl-[2-(propylsulfonylamino)propanoyl]amino]butanoate
CID 60714617
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 2-(bromomethylsulfonylamino)propanoate
CID 83085959

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate (CID 61460199) is methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC(C)C(N)=O.
What is the InChIKey of methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate?
The InChIKey is QQVMVTMRASRDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-6(8(9)12)10-16(13,14)5-3-4-7(11)15-2/h6,10H,3-5H2,1-2H3,(H2,9,12).
What are the key properties of methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate?
methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate has a molecular weight of 252.29 g/mol, XLogP of -1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate is sourced from PubChem (CID 61460199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).