[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid

C5H12N2O5S — CID 57017321

IUPAC[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid
SMILESNC(=O)CN(CCO)CS(=O)(=O)O
InChIInChI=1S/C5H12N2O5S/c6-5(9)3-7(1-2-8)4-13(10,11)12/h8H,1-4H2,(H2,6,9)(H,10,11,12)
InChIKeyVXXJOEYXCIQBHT-UHFFFAOYSA-N
MW212.23 g/mol
LogP-2.39
Rot. Bonds6

About [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid

[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid (PubChem CID 57017321) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid.

Molecular Properties

Compound Name[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid
PubChem CID57017321
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Name[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid
SMILESNC(=O)CN(CCO)CS(=O)(=O)O
InChIInChI=1S/C5H12N2O5S/c6-5(9)3-7(1-2-8)4-13(10,11)12/h8H,1-4H2,(H2,6,9)(H,10,11,12)
InChIKeyVXXJOEYXCIQBHT-UHFFFAOYSA-N
XLogP-2.39
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-2.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid?
The IUPAC name of [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid (CID 57017321) is [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid.
What is the SMILES notation for [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid?
The canonical SMILES for [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid is NC(=O)CN(CCO)CS(=O)(=O)O.
What is the InChIKey of [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid?
The InChIKey is VXXJOEYXCIQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c6-5(9)3-7(1-2-8)4-13(10,11)12/h8H,1-4H2,(H2,6,9)(H,10,11,12).
What are the key properties of [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid?
[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid has a molecular weight of 212.23 g/mol, XLogP of -2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]methanesulfonic acid is sourced from PubChem (CID 57017321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).