methyl 11-aminoundecanoate;hydrochloride

C12H26ClNO2 — CID 12720706

IUPACmethyl 11-aminoundecanoate;hydrochloride
SMILESCOC(=O)CCCCCCCCCCN.Cl
InChIInChI=1S/C12H25NO2.ClH/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13;/h2-11,13H2,1H3;1H
InChIKeyIWHIKEQZPPYMOH-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.05
Rot. Bonds10

About methyl 11-aminoundecanoate;hydrochloride

methyl 11-aminoundecanoate;hydrochloride (PubChem CID 12720706) has the molecular formula C12H26ClNO2 and a molecular weight of 251.80 g/mol. Its IUPAC name is methyl 11-aminoundecanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 11-aminoundecanoate;hydrochloride
PubChem CID12720706
Molecular FormulaC12H26ClNO2
Molecular Weight251.80 g/mol
Exact Mass251.17
IUPAC Namemethyl 11-aminoundecanoate;hydrochloride
SMILESCOC(=O)CCCCCCCCCCN.Cl
InChIInChI=1S/C12H25NO2.ClH/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13;/h2-11,13H2,1H3;1H
InChIKeyIWHIKEQZPPYMOH-UHFFFAOYSA-N
XLogP3.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10655700
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dimethyl tricosanedioate
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CID 90703426
dimethyl dotriacontanedioate
CID 14325565
7-aminoheptanoic acid;methanol;methyl 7-aminoheptanoate;thionyl dichloride;hydrochloride
CID 159786448
methyl 3-(6-aminohexanoylamino)propanoate
CID 61252126
methyl 8-amino-7-oxooctanoate
CID 23251276
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;stannane
CID 173290076
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836

Frequently Asked Questions

What is the IUPAC name of methyl 11-aminoundecanoate;hydrochloride?
The IUPAC name of methyl 11-aminoundecanoate;hydrochloride (CID 12720706) is methyl 11-aminoundecanoate;hydrochloride.
What is the SMILES notation for methyl 11-aminoundecanoate;hydrochloride?
The canonical SMILES for methyl 11-aminoundecanoate;hydrochloride is COC(=O)CCCCCCCCCCN.Cl.
What is the InChIKey of methyl 11-aminoundecanoate;hydrochloride?
The InChIKey is IWHIKEQZPPYMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.ClH/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13;/h2-11,13H2,1H3;1H.
What are the key properties of methyl 11-aminoundecanoate;hydrochloride?
methyl 11-aminoundecanoate;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-aminoundecanoate;hydrochloride is sourced from PubChem (CID 12720706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).