3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid

C10H19NO4S — CID 43588517

IUPAC3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(CC1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-6-11(8-9-3-4-9)16(14,15)7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHPACSXUIEJFGLT-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds8

About 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid

3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid (PubChem CID 43588517) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid
PubChem CID43588517
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(CC1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-6-11(8-9-3-4-9)16(14,15)7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHPACSXUIEJFGLT-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid (CID 43588517) is 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid is CCCN(CC1CC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid?
The InChIKey is HPACSXUIEJFGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-6-11(8-9-3-4-9)16(14,15)7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid?
3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43588517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).