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

C8H16N2O5S — CID 43386661

IUPAC2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid
SMILESCCCCS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-2-3-4-16(14,15)10-5-7(11)9-6-8(12)13/h10H,2-6H2,1H3,(H,9,11)(H,12,13)
InChIKeyQIDGXUCOCFGCGL-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.09
Rot. Bonds8

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

2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid (PubChem CID 43386661) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid
PubChem CID43386661
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid
SMILESCCCCS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-2-3-4-16(14,15)10-5-7(11)9-6-8(12)13/h10H,2-6H2,1H3,(H,9,11)(H,12,13)
InChIKeyQIDGXUCOCFGCGL-UHFFFAOYSA-N
XLogP-1.09
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid (CID 43386661) is 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid is CCCCS(=O)(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid?
The InChIKey is QIDGXUCOCFGCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-2-3-4-16(14,15)10-5-7(11)9-6-8(12)13/h10H,2-6H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid?
2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid has a molecular weight of 252.29 g/mol, XLogP of -1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butylsulfonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 43386661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).