2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid

C10H19NO4S — CID 81386001

IUPAC2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N[C@H](C)C1CCCC1
InChIInChI=1S/C10H19NO4S/c1-7(9-5-3-4-6-9)11-16(14,15)8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t7-,8?/m1/s1
InChIKeyMIHUZFXWSANTPV-GVHYBUMESA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds5

About 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid

2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid (PubChem CID 81386001) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
PubChem CID81386001
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N[C@H](C)C1CCCC1
InChIInChI=1S/C10H19NO4S/c1-7(9-5-3-4-6-9)11-16(14,15)8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t7-,8?/m1/s1
InChIKeyMIHUZFXWSANTPV-GVHYBUMESA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61454821
2-(1-piperidin-3-ylethylsulfamoyl)propanoic acid
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CID 61482345
[(1S)-1-(sulfamoylamino)ethyl]cyclohexane
CID 103935966
4-(1-cyclohexylethylsulfamoyl)butanoic acid
CID 62406651
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid
CID 104982569
2-(pentan-3-ylsulfamoyl)propanoic acid
CID 61454293
2-cycloheptylsulfonylpropanoic acid
CID 82925993
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid (CID 81386001) is 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N[C@H](C)C1CCCC1.
What is the InChIKey of 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid?
The InChIKey is MIHUZFXWSANTPV-GVHYBUMESA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(9-5-3-4-6-9)11-16(14,15)8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t7-,8?/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid?
2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 81386001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).