3-methoxy-4-(propylsulfamoylamino)butanoic acid

C8H18N2O5S — CID 103153617

IUPAC3-methoxy-4-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C8H18N2O5S/c1-3-4-9-16(13,14)10-6-7(15-2)5-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyAGPRJBCSLIGDLM-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.69
Rot. Bonds9

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

3-methoxy-4-(propylsulfamoylamino)butanoic acid (PubChem CID 103153617) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-methoxy-4-(propylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(propylsulfamoylamino)butanoic acid
PubChem CID103153617
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name3-methoxy-4-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C8H18N2O5S/c1-3-4-9-16(13,14)10-6-7(15-2)5-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyAGPRJBCSLIGDLM-UHFFFAOYSA-N
XLogP-0.69
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(propylsulfamoylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(propylsulfamoylamino)butanoic acid (CID 103153617) is 3-methoxy-4-(propylsulfamoylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(propylsulfamoylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(propylsulfamoylamino)butanoic acid is CCCNS(=O)(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-(propylsulfamoylamino)butanoic acid?
The InChIKey is AGPRJBCSLIGDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-3-4-9-16(13,14)10-6-7(15-2)5-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-4-(propylsulfamoylamino)butanoic acid?
3-methoxy-4-(propylsulfamoylamino)butanoic acid has a molecular weight of 254.31 g/mol, XLogP of -0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(propylsulfamoylamino)butanoic acid is sourced from PubChem (CID 103153617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).