(2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid

C5H11NO5S — CID 66518187

IUPAC(2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid
SMILESCCOC(=O)[C@@H](N)CS(=O)(=O)O
InChIInChI=1S/C5H11NO5S/c1-2-11-5(7)4(6)3-12(8,9)10/h4H,2-3,6H2,1H3,(H,8,9,10)/t4-/m0/s1
InChIKeyUHIBPTBMHLQMEA-BYPYZUCNSA-N
MW197.21 g/mol
LogP-1.24
Rot. Bonds4

About (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid

(2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid (PubChem CID 66518187) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid
PubChem CID66518187
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Name(2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid
SMILESCCOC(=O)[C@@H](N)CS(=O)(=O)O
InChIInChI=1S/C5H11NO5S/c1-2-11-5(7)4(6)3-12(8,9)10/h4H,2-3,6H2,1H3,(H,8,9,10)/t4-/m0/s1
InChIKeyUHIBPTBMHLQMEA-BYPYZUCNSA-N
XLogP-1.24
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic 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 (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid?
The IUPAC name of (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid (CID 66518187) is (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid.
What is the SMILES notation for (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid?
The canonical SMILES for (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid is CCOC(=O)[C@@H](N)CS(=O)(=O)O.
What is the InChIKey of (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid?
The InChIKey is UHIBPTBMHLQMEA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO5S/c1-2-11-5(7)4(6)3-12(8,9)10/h4H,2-3,6H2,1H3,(H,8,9,10)/t4-/m0/s1.
What are the key properties of (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid?
(2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid has a molecular weight of 197.21 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-ethoxy-3-oxopropane-1-sulfonic acid is sourced from PubChem (CID 66518187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).