(2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid

C10H9NO3Se — CID 10492238

IUPAC(2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1[se]c2ccccc2c1=O
InChIInChI=1S/C10H9NO3Se/c1-6(10(13)14)11-9(12)7-4-2-3-5-8(7)15-11/h2-6H,1H3,(H,13,14)/t6-/m0/s1
InChIKeyOHQNMAMZKVYOQV-LURJTMIESA-N
MW270.15 g/mol
LogP0.70
Rot. Bonds2

About (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid

(2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid (PubChem CID 10492238) has the molecular formula C10H9NO3Se and a molecular weight of 270.15 g/mol. Its IUPAC name is (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid
PubChem CID10492238
Molecular FormulaC10H9NO3Se
Molecular Weight270.15 g/mol
Exact Mass270.97
IUPAC Name(2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1[se]c2ccccc2c1=O
InChIInChI=1S/C10H9NO3Se/c1-6(10(13)14)11-9(12)7-4-2-3-5-8(7)15-11/h2-6H,1H3,(H,13,14)/t6-/m0/s1
InChIKeyOHQNMAMZKVYOQV-LURJTMIESA-N
XLogP0.70
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic 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 (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid?
The IUPAC name of (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid (CID 10492238) is (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid is C[C@@H](C(=O)O)n1[se]c2ccccc2c1=O.
What is the InChIKey of (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid?
The InChIKey is OHQNMAMZKVYOQV-LURJTMIESA-N. The full InChI is InChI=1S/C10H9NO3Se/c1-6(10(13)14)11-9(12)7-4-2-3-5-8(7)15-11/h2-6H,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid?
(2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid has a molecular weight of 270.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid is sourced from PubChem (CID 10492238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).