3-methoxy-4-(methylsulfamoylamino)butanoic acid

C6H14N2O5S — CID 103153444

IUPAC3-methoxy-4-(methylsulfamoylamino)butanoic acid
SMILESCNS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C6H14N2O5S/c1-7-14(11,12)8-4-5(13-2)3-6(9)10/h5,7-8H,3-4H2,1-2H3,(H,9,10)
InChIKeyZMROFMJQYFFSOO-UHFFFAOYSA-N
MW226.25 g/mol
LogP-1.47
Rot. Bonds7

About 3-methoxy-4-(methylsulfamoylamino)butanoic acid

3-methoxy-4-(methylsulfamoylamino)butanoic acid (PubChem CID 103153444) has the molecular formula C6H14N2O5S and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-methoxy-4-(methylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(methylsulfamoylamino)butanoic acid
PubChem CID103153444
Molecular FormulaC6H14N2O5S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Name3-methoxy-4-(methylsulfamoylamino)butanoic acid
SMILESCNS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C6H14N2O5S/c1-7-14(11,12)8-4-5(13-2)3-6(9)10/h5,7-8H,3-4H2,1-2H3,(H,9,10)
InChIKeyZMROFMJQYFFSOO-UHFFFAOYSA-N
XLogP-1.47
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfamoylamino)-3-methoxybutanoic acid
CID 103153439
3-methoxy-4-(sulfamoylamino)butanoic acid
CID 103153567
3-methoxy-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 103153466
3-methoxy-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 103153072
3-methoxy-4-[4-(methylsulfamoyl)anilino]butanoic acid
CID 103153862
4-[(1,1-dioxothian-4-yl)sulfonylamino]-3-methoxybutanoic acid
CID 103153587
3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 103153472
methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
CID 103491402
4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153584
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
(3R)-3,5-dimethoxy-5-oxopentanoic acid
CID 14895219
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(methylsulfamoylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(methylsulfamoylamino)butanoic acid (CID 103153444) is 3-methoxy-4-(methylsulfamoylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(methylsulfamoylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(methylsulfamoylamino)butanoic acid is CNS(=O)(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-(methylsulfamoylamino)butanoic acid?
The InChIKey is ZMROFMJQYFFSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O5S/c1-7-14(11,12)8-4-5(13-2)3-6(9)10/h5,7-8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-methoxy-4-(methylsulfamoylamino)butanoic acid?
3-methoxy-4-(methylsulfamoylamino)butanoic acid has a molecular weight of 226.25 g/mol, XLogP of -1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(methylsulfamoylamino)butanoic acid is sourced from PubChem (CID 103153444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).