2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid

C9H19NO5S — CID 61457845

IUPAC2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
SMILESCC(C)N(CCCO)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H19NO5S/c1-7(2)10(5-4-6-11)16(14,15)8(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyIEOXAFWGLDKHPV-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.12
Rot. Bonds7

About 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid

2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid (PubChem CID 61457845) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
PubChem CID61457845
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
SMILESCC(C)N(CCCO)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H19NO5S/c1-7(2)10(5-4-6-11)16(14,15)8(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyIEOXAFWGLDKHPV-UHFFFAOYSA-N
XLogP-0.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid (CID 61457845) is 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid is CC(C)N(CCCO)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid?
The InChIKey is IEOXAFWGLDKHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-7(2)10(5-4-6-11)16(14,15)8(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid?
2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid has a molecular weight of 253.32 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61457845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).