2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid

C11H21N3O6S — CID 114462501

IUPAC2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C11H21N3O6S/c1-8(2)20-11(17)12-21(18,19)14-6-4-13(5-7-14)9(3)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyRAFMGEAHGCYWCX-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.54
Rot. Bonds5

About 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid

2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid (PubChem CID 114462501) has the molecular formula C11H21N3O6S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid
PubChem CID114462501
Molecular FormulaC11H21N3O6S
Molecular Weight323.37 g/mol
Exact Mass323.12
IUPAC Name2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C11H21N3O6S/c1-8(2)20-11(17)12-21(18,19)14-6-4-13(5-7-14)9(3)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyRAFMGEAHGCYWCX-UHFFFAOYSA-N
XLogP-0.54
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid (CID 114462501) is 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid is CC(C)OC(=O)NS(=O)(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid?
The InChIKey is RAFMGEAHGCYWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O6S/c1-8(2)20-11(17)12-21(18,19)14-6-4-13(5-7-14)9(3)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid?
2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid has a molecular weight of 323.37 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 114462501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).