4-(ethylsulfamoylamino)-3-methoxybutanoic acid

C7H16N2O5S — CID 103153439

IUPAC4-(ethylsulfamoylamino)-3-methoxybutanoic acid
SMILESCCNS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C7H16N2O5S/c1-3-8-15(12,13)9-5-6(14-2)4-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyVPCLISDLGJWSBZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.08
Rot. Bonds8

About 4-(ethylsulfamoylamino)-3-methoxybutanoic acid

4-(ethylsulfamoylamino)-3-methoxybutanoic acid (PubChem CID 103153439) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(ethylsulfamoylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(ethylsulfamoylamino)-3-methoxybutanoic acid
PubChem CID103153439
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Name4-(ethylsulfamoylamino)-3-methoxybutanoic acid
SMILESCCNS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C7H16N2O5S/c1-3-8-15(12,13)9-5-6(14-2)4-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyVPCLISDLGJWSBZ-UHFFFAOYSA-N
XLogP-1.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(methylsulfamoylamino)butanoic acid
CID 103153444
3-methoxy-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 103153466
3-methoxy-4-(sulfamoylamino)butanoic acid
CID 103153567
methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
CID 103946924
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
3-methoxy-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 103153072
3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 103153472
4-[(1,1-dioxothian-4-yl)sulfonylamino]-3-methoxybutanoic acid
CID 103153587
4-(2-aminobutanoylamino)-3-methoxybutanoic acid
CID 103157192
2-methoxy-3-(propylsulfamoylamino)propanoic acid
CID 106108270
(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 4-(ethylsulfamoylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(ethylsulfamoylamino)-3-methoxybutanoic acid (CID 103153439) is 4-(ethylsulfamoylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(ethylsulfamoylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(ethylsulfamoylamino)-3-methoxybutanoic acid is CCNS(=O)(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 4-(ethylsulfamoylamino)-3-methoxybutanoic acid?
The InChIKey is VPCLISDLGJWSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-3-8-15(12,13)9-5-6(14-2)4-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-(ethylsulfamoylamino)-3-methoxybutanoic acid?
4-(ethylsulfamoylamino)-3-methoxybutanoic acid has a molecular weight of 240.28 g/mol, XLogP of -1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoylamino)-3-methoxybutanoic acid is sourced from PubChem (CID 103153439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).