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

C6H12N2O5S — CID 43386870

IUPAC2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid
SMILESCCS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C6H12N2O5S/c1-2-14(12,13)8-3-5(9)7-4-6(10)11/h8H,2-4H2,1H3,(H,7,9)(H,10,11)
InChIKeySEFRONOTLFLOBV-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.87
Rot. Bonds6

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

2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid (PubChem CID 43386870) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid
PubChem CID43386870
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid
SMILESCCS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C6H12N2O5S/c1-2-14(12,13)8-3-5(9)7-4-6(10)11/h8H,2-4H2,1H3,(H,7,9)(H,10,11)
InChIKeySEFRONOTLFLOBV-UHFFFAOYSA-N
XLogP-1.87
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid (CID 43386870) is 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid is CCS(=O)(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid?
The InChIKey is SEFRONOTLFLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-2-14(12,13)8-3-5(9)7-4-6(10)11/h8H,2-4H2,1H3,(H,7,9)(H,10,11).
What are the key properties of 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid?
2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid has a molecular weight of 224.24 g/mol, XLogP of -1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylsulfonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 43386870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).