2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid

C10H19N3O6S — CID 43465477

IUPAC2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O6S/c1-3-4-20(18,19)13-7(2)10(17)12-5-8(14)11-6-9(15)16/h7,13H,3-6H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyJGXXXFRDGNNBBJ-UHFFFAOYSA-N
MW309.34 g/mol
LogP-1.98
Rot. Bonds9

About 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid

2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid (PubChem CID 43465477) has the molecular formula C10H19N3O6S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid
PubChem CID43465477
Molecular FormulaC10H19N3O6S
Molecular Weight309.34 g/mol
Exact Mass309.10
IUPAC Name2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O6S/c1-3-4-20(18,19)13-7(2)10(17)12-5-8(14)11-6-9(15)16/h7,13H,3-6H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyJGXXXFRDGNNBBJ-UHFFFAOYSA-N
XLogP-1.98
TPSA141.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid (CID 43465477) is 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid is CCCS(=O)(=O)NC(C)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid?
The InChIKey is JGXXXFRDGNNBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O6S/c1-3-4-20(18,19)13-7(2)10(17)12-5-8(14)11-6-9(15)16/h7,13H,3-6H2,1-2H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid?
2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid has a molecular weight of 309.34 g/mol, XLogP of -1.98, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).