methyl 10-amino-11-phenylundecanoate;hydrochloride

C18H30ClNO2 — CID 141254127

IUPACmethyl 10-amino-11-phenylundecanoate;hydrochloride
SMILESCOC(=O)CCCCCCCCC(N)Cc1ccccc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-21-18(20)14-10-5-3-2-4-9-13-17(19)15-16-11-7-6-8-12-16;/h6-8,11-12,17H,2-5,9-10,13-15,19H2,1H3;1H
InChIKeyHTQAVSQCWGRSDL-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.27
Rot. Bonds11

About methyl 10-amino-11-phenylundecanoate;hydrochloride

methyl 10-amino-11-phenylundecanoate;hydrochloride (PubChem CID 141254127) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is methyl 10-amino-11-phenylundecanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 10-amino-11-phenylundecanoate;hydrochloride
PubChem CID141254127
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Namemethyl 10-amino-11-phenylundecanoate;hydrochloride
SMILESCOC(=O)CCCCCCCCC(N)Cc1ccccc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-21-18(20)14-10-5-3-2-4-9-13-17(19)15-16-11-7-6-8-12-16;/h6-8,11-12,17H,2-5,9-10,13-15,19H2,1H3;1H
InChIKeyHTQAVSQCWGRSDL-UHFFFAOYSA-N
XLogP4.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.27
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

methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl 6-benzylundecanoate
CID 58960739
methyl 7-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]heptanoate;hydrochloride
CID 70402985
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
methyl 8-amino-7-phenyloctanoate
CID 10060632
5-methoxy-1-phenylpentan-2-amine
CID 62608693
5-amino-6-phenylhexan-2-one
CID 90094782

Frequently Asked Questions

What is the IUPAC name of methyl 10-amino-11-phenylundecanoate;hydrochloride?
The IUPAC name of methyl 10-amino-11-phenylundecanoate;hydrochloride (CID 141254127) is methyl 10-amino-11-phenylundecanoate;hydrochloride.
What is the SMILES notation for methyl 10-amino-11-phenylundecanoate;hydrochloride?
The canonical SMILES for methyl 10-amino-11-phenylundecanoate;hydrochloride is COC(=O)CCCCCCCCC(N)Cc1ccccc1.Cl.
What is the InChIKey of methyl 10-amino-11-phenylundecanoate;hydrochloride?
The InChIKey is HTQAVSQCWGRSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-21-18(20)14-10-5-3-2-4-9-13-17(19)15-16-11-7-6-8-12-16;/h6-8,11-12,17H,2-5,9-10,13-15,19H2,1H3;1H.
What are the key properties of methyl 10-amino-11-phenylundecanoate;hydrochloride?
methyl 10-amino-11-phenylundecanoate;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-amino-11-phenylundecanoate;hydrochloride is sourced from PubChem (CID 141254127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).