amino 2-methylpentadec-2-enoate;hydrochloride

C16H32ClNO2 — CID 174293023

IUPACamino 2-methylpentadec-2-enoate;hydrochloride
SMILESCCCCCCCCCCCCC=C(C)C(=O)ON.Cl
InChIInChI=1S/C16H31NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)19-17;/h14H,3-13,17H2,1-2H3;1H
InChIKeyXZXOEGUAXLQBJN-UHFFFAOYSA-N
MW305.89 g/mol
LogP5.08
Rot. Bonds12

About amino 2-methylpentadec-2-enoate;hydrochloride

amino 2-methylpentadec-2-enoate;hydrochloride (PubChem CID 174293023) has the molecular formula C16H32ClNO2 and a molecular weight of 305.89 g/mol. Its IUPAC name is amino 2-methylpentadec-2-enoate;hydrochloride.

Molecular Properties

Compound Nameamino 2-methylpentadec-2-enoate;hydrochloride
PubChem CID174293023
Molecular FormulaC16H32ClNO2
Molecular Weight305.89 g/mol
Exact Mass305.21
IUPAC Nameamino 2-methylpentadec-2-enoate;hydrochloride
SMILESCCCCCCCCCCCCC=C(C)C(=O)ON.Cl
InChIInChI=1S/C16H31NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)19-17;/h14H,3-13,17H2,1-2H3;1H
InChIKeyXZXOEGUAXLQBJN-UHFFFAOYSA-N
XLogP5.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
propyl 2-methyltridec-2-enoate
CID 174821186
heptyl 2-methylhexadec-2-enoate
CID 174820936
dodecyl 2-methylhenicos-2-enoate
CID 57172953
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
nonyl 2-methylnon-2-enoate
CID 175301846
methyl 2-methyloct-2-enoate
CID 71403822
hydroxycarbamoyl 2-methyldodec-2-enoate
CID 173146051
dimethylamino 2-methyltricos-2-enoate
CID 174950985
2-methylnonacos-2-enamide
CID 141002865
(E)-2-methylhexadec-2-enamide
CID 87240184

Frequently Asked Questions

What is the IUPAC name of amino 2-methylpentadec-2-enoate;hydrochloride?
The IUPAC name of amino 2-methylpentadec-2-enoate;hydrochloride (CID 174293023) is amino 2-methylpentadec-2-enoate;hydrochloride.
What is the SMILES notation for amino 2-methylpentadec-2-enoate;hydrochloride?
The canonical SMILES for amino 2-methylpentadec-2-enoate;hydrochloride is CCCCCCCCCCCCC=C(C)C(=O)ON.Cl.
What is the InChIKey of amino 2-methylpentadec-2-enoate;hydrochloride?
The InChIKey is XZXOEGUAXLQBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)19-17;/h14H,3-13,17H2,1-2H3;1H.
What are the key properties of amino 2-methylpentadec-2-enoate;hydrochloride?
amino 2-methylpentadec-2-enoate;hydrochloride has a molecular weight of 305.89 g/mol, XLogP of 5.08, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-methylpentadec-2-enoate;hydrochloride is sourced from PubChem (CID 174293023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).