propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride

C8H18ClNO2Se — CID 15952503

IUPACpropan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride
SMILESC[Se]CC[C@H](N)C(=O)OC(C)C.Cl
InChIInChI=1S/C8H17NO2Se.ClH/c1-6(2)11-8(10)7(9)4-5-12-3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1
InChIKeyMTJRVGXDZPUBFY-FJXQXJEOSA-N
MW274.65 g/mol
LogP1.25
Rot. Bonds5

About propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride

propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride (PubChem CID 15952503) has the molecular formula C8H18ClNO2Se and a molecular weight of 274.65 g/mol. Its IUPAC name is propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride
PubChem CID15952503
Molecular FormulaC8H18ClNO2Se
Molecular Weight274.65 g/mol
Exact Mass275.02
IUPAC Namepropan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride
SMILESC[Se]CC[C@H](N)C(=O)OC(C)C.Cl
InChIInChI=1S/C8H17NO2Se.ClH/c1-6(2)11-8(10)7(9)4-5-12-3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1
InChIKeyMTJRVGXDZPUBFY-FJXQXJEOSA-N
XLogP1.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride
CID 87967506
propan-2-yl 2,3-diaminopropanoate
CID 141295176
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide
CID 71381711
propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride
CID 154776096
dodecyl (2S)-2-amino-4-methylselanylbutanoate
CID 87067764
propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate
CID 146692452
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
butan-2-yl (2R)-2-amino-4-hydroxybutanoate
CID 107825312

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride?
The IUPAC name of propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride (CID 15952503) is propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride.
What is the SMILES notation for propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride?
The canonical SMILES for propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride is C[Se]CC[C@H](N)C(=O)OC(C)C.Cl.
What is the InChIKey of propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride?
The InChIKey is MTJRVGXDZPUBFY-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO2Se.ClH/c1-6(2)11-8(10)7(9)4-5-12-3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1.
What are the key properties of propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride?
propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride has a molecular weight of 274.65 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride is sourced from PubChem (CID 15952503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).