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

C7H14N2O5S — CID 43386643

IUPAC2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid
SMILESCCCS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-2-3-15(13,14)9-4-6(10)8-5-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12)
InChIKeySYBWCZKDTJCSNM-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.48
Rot. Bonds7

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

2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid (PubChem CID 43386643) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid
PubChem CID43386643
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid
SMILESCCCS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-2-3-15(13,14)9-4-6(10)8-5-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12)
InChIKeySYBWCZKDTJCSNM-UHFFFAOYSA-N
XLogP-1.48
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid (CID 43386643) is 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid is CCCS(=O)(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid?
The InChIKey is SYBWCZKDTJCSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-2-3-15(13,14)9-4-6(10)8-5-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid?
2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid has a molecular weight of 238.26 g/mol, XLogP of -1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(propylsulfonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 43386643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).