(2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid

C6H13NO5S — CID 91974075

IUPAC(2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid
SMILESCCCOC(=O)[C@@H](N)CS(=O)(=O)O
InChIInChI=1S/C6H13NO5S/c1-2-3-12-6(8)5(7)4-13(9,10)11/h5H,2-4,7H2,1H3,(H,9,10,11)/t5-/m0/s1
InChIKeyIYFODVDCKUEHKP-YFKPBYRVSA-N
MW211.24 g/mol
LogP-0.85
Rot. Bonds5

About (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid

(2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid (PubChem CID 91974075) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid
PubChem CID91974075
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name(2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid
SMILESCCCOC(=O)[C@@H](N)CS(=O)(=O)O
InChIInChI=1S/C6H13NO5S/c1-2-3-12-6(8)5(7)4-13(9,10)11/h5H,2-4,7H2,1H3,(H,9,10,11)/t5-/m0/s1
InChIKeyIYFODVDCKUEHKP-YFKPBYRVSA-N
XLogP-0.85
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-0.85
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-oxo-3-propoxypropane-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-oxo-3-propoxypropane-1-sulfonic acid?
The IUPAC name of (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid (CID 91974075) is (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid.
What is the SMILES notation for (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid?
The canonical SMILES for (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid is CCCOC(=O)[C@@H](N)CS(=O)(=O)O.
What is the InChIKey of (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid?
The InChIKey is IYFODVDCKUEHKP-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO5S/c1-2-3-12-6(8)5(7)4-13(9,10)11/h5H,2-4,7H2,1H3,(H,9,10,11)/t5-/m0/s1.
What are the key properties of (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid?
(2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid has a molecular weight of 211.24 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-oxo-3-propoxypropane-1-sulfonic acid is sourced from PubChem (CID 91974075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).