(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride

C5H12ClNO2Se — CID 87967506

IUPAC(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride
SMILESC[Se]CC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C5H11NO2Se.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyWZUBZCPSXMZBOT-WCCKRBBISA-N
MW232.57 g/mol
LogP0.38
Rot. Bonds4

About (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride

(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride (PubChem CID 87967506) has the molecular formula C5H12ClNO2Se and a molecular weight of 232.57 g/mol. Its IUPAC name is (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride
PubChem CID87967506
Molecular FormulaC5H12ClNO2Se
Molecular Weight232.57 g/mol
Exact Mass232.97
IUPAC Name(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride
SMILESC[Se]CC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C5H11NO2Se.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyWZUBZCPSXMZBOT-WCCKRBBISA-N
XLogP0.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.57
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid
CID 73440789
2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
CID 24496
propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride
CID 15952503
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide
CID 71381711
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-4-methylselanylbutanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylselanylbutanoic acid
CID 159182917
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride (CID 87967506) is (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride is C[Se]CC[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride?
The InChIKey is WZUBZCPSXMZBOT-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2Se.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride?
(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride has a molecular weight of 232.57 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride is sourced from PubChem (CID 87967506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).