(2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid

C11H15NO2Se — CID 10564079

IUPAC(2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid
SMILESCc1ccc(C[Se]C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15NO2Se/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyJKMVVSOYPSFMIC-JTQLQIEISA-N
MW272.21 g/mol
LogP1.03
Rot. Bonds5

About (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid

(2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid (PubChem CID 10564079) has the molecular formula C11H15NO2Se and a molecular weight of 272.21 g/mol. Its IUPAC name is (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid
PubChem CID10564079
Molecular FormulaC11H15NO2Se
Molecular Weight272.21 g/mol
Exact Mass273.03
IUPAC Name(2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid
SMILESCc1ccc(C[Se]C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15NO2Se/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyJKMVVSOYPSFMIC-JTQLQIEISA-N
XLogP1.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid (CID 10564079) is (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid is Cc1ccc(C[Se]C[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid?
The InChIKey is JKMVVSOYPSFMIC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2Se/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid?
(2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid has a molecular weight of 272.21 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid is sourced from PubChem (CID 10564079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).