2-(1-cyclopropylethylsulfamoyl)propanoic acid

C8H15NO4S — CID 61454821

IUPAC2-(1-cyclopropylethylsulfamoyl)propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)C1CC1
InChIInChI=1S/C8H15NO4S/c1-5(7-3-4-7)9-14(12,13)6(2)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyIKINUSWHAGYJHO-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.18
Rot. Bonds5

About 2-(1-cyclopropylethylsulfamoyl)propanoic acid

2-(1-cyclopropylethylsulfamoyl)propanoic acid (PubChem CID 61454821) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1-cyclopropylethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylsulfamoyl)propanoic acid
PubChem CID61454821
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-(1-cyclopropylethylsulfamoyl)propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)C1CC1
InChIInChI=1S/C8H15NO4S/c1-5(7-3-4-7)9-14(12,13)6(2)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyIKINUSWHAGYJHO-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
CID 81386001
2-(dicyclopropylmethylsulfamoyl)propanoic acid
CID 61482345
2-(1-piperidin-3-ylethylsulfamoyl)propanoic acid
CID 62047248
2-(pentan-3-ylsulfamoyl)propanoic acid
CID 61454293
2-[(2-aminocyclopentyl)sulfamoyl]propanoic acid
CID 63252218
2-(pentan-2-ylsulfamoyl)propanoic acid
CID 61454436
1-chloro-N-(1-cyclopropylethyl)methanesulfonamide
CID 63663866
2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
3-bromo-5-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 81488528
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid
CID 104982569

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylsulfamoyl)propanoic acid?
The IUPAC name of 2-(1-cyclopropylethylsulfamoyl)propanoic acid (CID 61454821) is 2-(1-cyclopropylethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(1-cyclopropylethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(1-cyclopropylethylsulfamoyl)propanoic acid is CC(NS(=O)(=O)C(C)C(=O)O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylsulfamoyl)propanoic acid?
The InChIKey is IKINUSWHAGYJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-5(7-3-4-7)9-14(12,13)6(2)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(1-cyclopropylethylsulfamoyl)propanoic acid?
2-(1-cyclopropylethylsulfamoyl)propanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylsulfamoyl)propanoic acid is sourced from PubChem (CID 61454821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).