3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid

C13H17NO4S — CID 43578537

IUPAC3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO4S/c15-13(16)8-9-19(17,18)14(12-6-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyMLJIPGINNLRIMQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.46
Rot. Bonds7

About 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid

3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid (PubChem CID 43578537) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
PubChem CID43578537
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO4S/c15-13(16)8-9-19(17,18)14(12-6-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyMLJIPGINNLRIMQ-UHFFFAOYSA-N
XLogP1.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
CID 60950649
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
3-[benzyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60948432
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 166242216
3-[cyclopropyl(2-phenylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690874
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide
CID 113147870
2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide
CID 43576284
methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate
CID 61460740
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
N-(cyanomethyl)-N-cyclopropyl-2-phenylethanesulfonamide
CID 94694271

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid (CID 43578537) is 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid?
The InChIKey is MLJIPGINNLRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-13(16)8-9-19(17,18)14(12-6-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16).
What are the key properties of 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid?
3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43578537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).