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

C10H19N3O6S — CID 114462121

IUPAC2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H19N3O6S/c1-8(2)19-10(16)11-20(17,18)13-5-3-12(4-6-13)7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyRKORZTBOXASRBY-UHFFFAOYSA-N
MW309.34 g/mol
LogP-0.93
Rot. Bonds5

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

2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid (PubChem CID 114462121) has the molecular formula C10H19N3O6S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid
PubChem CID114462121
Molecular FormulaC10H19N3O6S
Molecular Weight309.34 g/mol
Exact Mass309.10
IUPAC Name2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H19N3O6S/c1-8(2)19-10(16)11-20(17,18)13-5-3-12(4-6-13)7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyRKORZTBOXASRBY-UHFFFAOYSA-N
XLogP-0.93
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 5-0.93
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]acetic acid?
The IUPAC name of 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid (CID 114462121) is 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid is CC(C)OC(=O)NS(=O)(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid?
The InChIKey is RKORZTBOXASRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O6S/c1-8(2)19-10(16)11-20(17,18)13-5-3-12(4-6-13)7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid?
2-[4-(propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]acetic acid has a molecular weight of 309.34 g/mol, XLogP of -0.93, 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]acetic acid is sourced from PubChem (CID 114462121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).