(E)-14-aminotetradec-2-enoic acid;hydrochloride

C14H28ClNO2 — CID 25028644

IUPAC(E)-14-aminotetradec-2-enoic acid;hydrochloride
SMILESCl.NCCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C14H27NO2.ClH/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17;/h10,12H,1-9,11,13,15H2,(H,16,17);1H/b12-10+;
InChIKeyZJLRETHORGKLOM-VHPXAQPISA-N
MW277.84 g/mol
LogP3.91
Rot. Bonds12

About (E)-14-aminotetradec-2-enoic acid;hydrochloride

(E)-14-aminotetradec-2-enoic acid;hydrochloride (PubChem CID 25028644) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is (E)-14-aminotetradec-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name(E)-14-aminotetradec-2-enoic acid;hydrochloride
PubChem CID25028644
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC Name(E)-14-aminotetradec-2-enoic acid;hydrochloride
SMILESCl.NCCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C14H27NO2.ClH/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17;/h10,12H,1-9,11,13,15H2,(H,16,17);1H/b12-10+;
InChIKeyZJLRETHORGKLOM-VHPXAQPISA-N
XLogP3.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-aminohept-2-enoic acid;2,2,2-trifluoroacetic acid
CID 171151929
octadec-2-enoic acid;hydrochloride
CID 175477245
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(Z)-undec-2-enedioic acid
CID 59435158
14-bromotetradec-2-enoic acid
CID 54270933
undec-2-enoic acid
CID 519180
icosa-2,11-dienoic acid
CID 54537818
bis(heptadec-2-enoic acid);zinc
CID 172555643
(33Z)-octatetraconta-2,33-dienedioic acid
CID 87703838
icosa-2,12-dienoic acid
CID 174301675
(Z)-16-aminohexadec-9-enoic acid
CID 87215029
(Z)-16-aminohexadec-11-enoic acid
CID 89054374

Frequently Asked Questions

What is the IUPAC name of (E)-14-aminotetradec-2-enoic acid;hydrochloride?
The IUPAC name of (E)-14-aminotetradec-2-enoic acid;hydrochloride (CID 25028644) is (E)-14-aminotetradec-2-enoic acid;hydrochloride.
What is the SMILES notation for (E)-14-aminotetradec-2-enoic acid;hydrochloride?
The canonical SMILES for (E)-14-aminotetradec-2-enoic acid;hydrochloride is Cl.NCCCCCCCCCCC/C=C/C(=O)O.
What is the InChIKey of (E)-14-aminotetradec-2-enoic acid;hydrochloride?
The InChIKey is ZJLRETHORGKLOM-VHPXAQPISA-N. The full InChI is InChI=1S/C14H27NO2.ClH/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17;/h10,12H,1-9,11,13,15H2,(H,16,17);1H/b12-10+;.
What are the key properties of (E)-14-aminotetradec-2-enoic acid;hydrochloride?
(E)-14-aminotetradec-2-enoic acid;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 3.91, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-14-aminotetradec-2-enoic acid;hydrochloride is sourced from PubChem (CID 25028644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).