(2R)-2-(methylamino)-3-sulfopropanoic acid

C4H9NO5S — CID 87554102

IUPAC(2R)-2-(methylamino)-3-sulfopropanoic acid
SMILESCN[C@@H](CS(=O)(=O)O)C(=O)O
InChIInChI=1S/C4H9NO5S/c1-5-3(4(6)7)2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H,8,9,10)/t3-/m0/s1
InChIKeyRRAVAIZXRJSEDA-VKHMYHEASA-N
MW183.18 g/mol
LogP-1.45
Rot. Bonds4

About (2R)-2-(methylamino)-3-sulfopropanoic acid

(2R)-2-(methylamino)-3-sulfopropanoic acid (PubChem CID 87554102) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is (2R)-2-(methylamino)-3-sulfopropanoic acid.

Molecular Properties

Compound Name(2R)-2-(methylamino)-3-sulfopropanoic acid
PubChem CID87554102
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Name(2R)-2-(methylamino)-3-sulfopropanoic acid
SMILESCN[C@@H](CS(=O)(=O)O)C(=O)O
InChIInChI=1S/C4H9NO5S/c1-5-3(4(6)7)2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H,8,9,10)/t3-/m0/s1
InChIKeyRRAVAIZXRJSEDA-VKHMYHEASA-N
XLogP-1.45
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(methylamino)-3-sulfopropanoic 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-(methylamino)-3-sulfopropanoic acid?
The IUPAC name of (2R)-2-(methylamino)-3-sulfopropanoic acid (CID 87554102) is (2R)-2-(methylamino)-3-sulfopropanoic acid.
What is the SMILES notation for (2R)-2-(methylamino)-3-sulfopropanoic acid?
The canonical SMILES for (2R)-2-(methylamino)-3-sulfopropanoic acid is CN[C@@H](CS(=O)(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-(methylamino)-3-sulfopropanoic acid?
The InChIKey is RRAVAIZXRJSEDA-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO5S/c1-5-3(4(6)7)2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H,8,9,10)/t3-/m0/s1.
What are the key properties of (2R)-2-(methylamino)-3-sulfopropanoic acid?
(2R)-2-(methylamino)-3-sulfopropanoic acid has a molecular weight of 183.18 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-3-sulfopropanoic acid is sourced from PubChem (CID 87554102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).