2-[(2-aminoacetyl)amino]ethanesulfonic acid

C4H10N2O4S — CID 18780448

IUPAC2-[(2-aminoacetyl)amino]ethanesulfonic acid
SMILESNCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C4H10N2O4S/c5-3-4(7)6-1-2-11(8,9)10/h1-3,5H2,(H,6,7)(H,8,9,10)
InChIKeyCHJFZKBUNXDBEL-UHFFFAOYSA-N
MW182.20 g/mol
LogP-2.05
Rot. Bonds4

About 2-[(2-aminoacetyl)amino]ethanesulfonic acid

2-[(2-aminoacetyl)amino]ethanesulfonic acid (PubChem CID 18780448) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]ethanesulfonic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]ethanesulfonic acid
PubChem CID18780448
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Name2-[(2-aminoacetyl)amino]ethanesulfonic acid
SMILESNCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C4H10N2O4S/c5-3-4(7)6-1-2-11(8,9)10/h1-3,5H2,(H,6,7)(H,8,9,10)
InChIKeyCHJFZKBUNXDBEL-UHFFFAOYSA-N
XLogP-2.05
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Acamprosate
CID 71158
N-(2-acetamido)-2-aminoethanesulfonic acid
CID 81832
N-Acetyltaurine
CID 159864
Magnesium N-acetyl taurate
CID 158655510
2-(2-Aminopropanoylamino)ethanesulfonic acid
CID 9899097
2-[(2-Amino-2-oxoethyl)ammonio]ethanesulfonate
CID 6993708
2-amino-N-(cyanomethyl)acetamide methanesulfonate
CID 85567610
2-[3-[(2-Aminoacetyl)amino]propanoylamino]ethanesulfonic acid
CID 49864455
2-Acetamidoethanesulfonate
CID 20521519
3,6-Diazaoctane-1,8-disulfonic acid, 4-oxo-5-thioxo-
CID 23422981
Alanyl-taurine
CID 15929422
N-acetylhypotaurine
CID 20655725

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]ethanesulfonic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]ethanesulfonic acid (CID 18780448) is 2-[(2-aminoacetyl)amino]ethanesulfonic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]ethanesulfonic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]ethanesulfonic acid is NCC(=O)NCCS(=O)(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]ethanesulfonic acid?
The InChIKey is CHJFZKBUNXDBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c5-3-4(7)6-1-2-11(8,9)10/h1-3,5H2,(H,6,7)(H,8,9,10).
What are the key properties of 2-[(2-aminoacetyl)amino]ethanesulfonic acid?
2-[(2-aminoacetyl)amino]ethanesulfonic acid has a molecular weight of 182.20 g/mol, XLogP of -2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]ethanesulfonic acid is sourced from PubChem (CID 18780448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).