dodecyl (2S)-2-amino-4-methylselanylbutanoate

C17H35NO2Se — CID 87067764

IUPACdodecyl (2S)-2-amino-4-methylselanylbutanoate
SMILESCCCCCCCCCCCCOC(=O)[C@@H](N)CC[Se]C
InChIInChI=1S/C17H35NO2Se/c1-3-4-5-6-7-8-9-10-11-12-14-20-17(19)16(18)13-15-21-2/h16H,3-15,18H2,1-2H3/t16-/m0/s1
InChIKeyGTNQZKVKLUSANP-INIZCTEOSA-N
MW364.43 g/mol
LogP4.34
Rot. Bonds15

About dodecyl (2S)-2-amino-4-methylselanylbutanoate

dodecyl (2S)-2-amino-4-methylselanylbutanoate (PubChem CID 87067764) has the molecular formula C17H35NO2Se and a molecular weight of 364.43 g/mol. Its IUPAC name is dodecyl (2S)-2-amino-4-methylselanylbutanoate.

Molecular Properties

Compound Namedodecyl (2S)-2-amino-4-methylselanylbutanoate
PubChem CID87067764
Molecular FormulaC17H35NO2Se
Molecular Weight364.43 g/mol
Exact Mass365.18
IUPAC Namedodecyl (2S)-2-amino-4-methylselanylbutanoate
SMILESCCCCCCCCCCCCOC(=O)[C@@H](N)CC[Se]C
InChIInChI=1S/C17H35NO2Se/c1-3-4-5-6-7-8-9-10-11-12-14-20-17(19)16(18)13-15-21-2/h16H,3-15,18H2,1-2H3/t16-/m0/s1
InChIKeyGTNQZKVKLUSANP-INIZCTEOSA-N
XLogP4.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl (2S)-2-aminohexanoate
CID 10808138
heptyl (2R)-2-aminopentanoate
CID 107565724
heptyl 2-aminopentanoate
CID 61302463
dodecyl 2-aminododecanoate
CID 175586127
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
hexyl 2-amino-4-methoxybutanoate
CID 62478651
dihexyl (2R)-2-aminopentanedioate
CID 87498981
decyl 2-aminobutanoate
CID 5124907
octadecyl (2R)-2,6-diaminohexanoate
CID 98551343
dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
nonadecyl (2S)-2,6-diaminohexanoate
CID 54272011

Frequently Asked Questions

What is the IUPAC name of dodecyl (2S)-2-amino-4-methylselanylbutanoate?
The IUPAC name of dodecyl (2S)-2-amino-4-methylselanylbutanoate (CID 87067764) is dodecyl (2S)-2-amino-4-methylselanylbutanoate.
What is the SMILES notation for dodecyl (2S)-2-amino-4-methylselanylbutanoate?
The canonical SMILES for dodecyl (2S)-2-amino-4-methylselanylbutanoate is CCCCCCCCCCCCOC(=O)[C@@H](N)CC[Se]C.
What is the InChIKey of dodecyl (2S)-2-amino-4-methylselanylbutanoate?
The InChIKey is GTNQZKVKLUSANP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H35NO2Se/c1-3-4-5-6-7-8-9-10-11-12-14-20-17(19)16(18)13-15-21-2/h16H,3-15,18H2,1-2H3/t16-/m0/s1.
What are the key properties of dodecyl (2S)-2-amino-4-methylselanylbutanoate?
dodecyl (2S)-2-amino-4-methylselanylbutanoate has a molecular weight of 364.43 g/mol, XLogP of 4.34, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl (2S)-2-amino-4-methylselanylbutanoate is sourced from PubChem (CID 87067764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).