(2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride

C4H10ClNO2Se — CID 11957622

IUPAC(2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride
SMILESC[Se]C[C@H](N)C(=O)O.Cl
InChIInChI=1S/C4H9NO2Se.ClH/c1-8-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1
InChIKeyJMPVTFHGWJDSDV-DFWYDOINSA-N
MW218.54 g/mol
LogP-0.01
Rot. Bonds3

About (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride

(2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride (PubChem CID 11957622) has the molecular formula C4H10ClNO2Se and a molecular weight of 218.54 g/mol. Its IUPAC name is (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride
PubChem CID11957622
Molecular FormulaC4H10ClNO2Se
Molecular Weight218.54 g/mol
Exact Mass218.96
IUPAC Name(2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride
SMILESC[Se]C[C@H](N)C(=O)O.Cl
InChIInChI=1S/C4H9NO2Se.ClH/c1-8-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1
InChIKeyJMPVTFHGWJDSDV-DFWYDOINSA-N
XLogP-0.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.54
LogP ≤ 5-0.01
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-methylselanylpropanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride (CID 11957622) is (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride is C[Se]C[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride?
The InChIKey is JMPVTFHGWJDSDV-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9NO2Se.ClH/c1-8-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1.
What are the key properties of (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride?
(2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride has a molecular weight of 218.54 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylselanylpropanoic acid;hydrochloride is sourced from PubChem (CID 11957622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).