3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid

C9H20N2O4S — CID 62642533

IUPAC3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid
SMILESCC(C)N(C)CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-8(2)11(3)6-5-10-16(14,15)7-4-9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyUUGORQNQRICUAV-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.28
Rot. Bonds8

About 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid

3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid (PubChem CID 62642533) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid
PubChem CID62642533
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid
SMILESCC(C)N(C)CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-8(2)11(3)6-5-10-16(14,15)7-4-9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyUUGORQNQRICUAV-UHFFFAOYSA-N
XLogP-0.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid (CID 62642533) is 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid is CC(C)N(C)CCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid?
The InChIKey is UUGORQNQRICUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8(2)11(3)6-5-10-16(14,15)7-4-9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid?
3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid has a molecular weight of 252.34 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 62642533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).