2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid

C9H19NO5S — CID 79390632

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid
SMILESCCN(CC(C)(C)O)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H19NO5S/c1-5-10(6-9(3,4)13)16(14,15)7(2)8(11)12/h7,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyCRVXSNPTLXUNOQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.12
Rot. Bonds6

About 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid

2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid (PubChem CID 79390632) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid
PubChem CID79390632
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid
SMILESCCN(CC(C)(C)O)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H19NO5S/c1-5-10(6-9(3,4)13)16(14,15)7(2)8(11)12/h7,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyCRVXSNPTLXUNOQ-UHFFFAOYSA-N
XLogP-0.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid (CID 79390632) is 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid is CCN(CC(C)(C)O)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid?
The InChIKey is CRVXSNPTLXUNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-5-10(6-9(3,4)13)16(14,15)7(2)8(11)12/h7,13H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid?
2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid has a molecular weight of 253.32 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 79390632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).