(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid

C5H11NO2S — CID 22978807

IUPAC(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid
SMILESCN(C)[C@@H](CS)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-6(2)4(3-9)5(7)8/h4,9H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyXIWVVHDARMMTBX-BYPYZUCNSA-N
MW149.22 g/mol
LogP-0.07
Rot. Bonds3

About (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid

(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid (PubChem CID 22978807) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid
PubChem CID22978807
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid
SMILESCN(C)[C@@H](CS)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-6(2)4(3-9)5(7)8/h4,9H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyXIWVVHDARMMTBX-BYPYZUCNSA-N
XLogP-0.07
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid (CID 22978807) is (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid is CN(C)[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid?
The InChIKey is XIWVVHDARMMTBX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6(2)4(3-9)5(7)8/h4,9H,3H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid?
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid has a molecular weight of 149.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 22978807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).