methyl 8-aminooctanoate;hydrochloride

C9H20ClNO2 — CID 12878164

IUPACmethyl 8-aminooctanoate;hydrochloride
SMILESCOC(=O)CCCCCCCN.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-12-9(11)7-5-3-2-4-6-8-10;/h2-8,10H2,1H3;1H
InChIKeyDNMCSEZPFDMEHC-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.88
Rot. Bonds7

About methyl 8-aminooctanoate;hydrochloride

methyl 8-aminooctanoate;hydrochloride (PubChem CID 12878164) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is methyl 8-aminooctanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 8-aminooctanoate;hydrochloride
PubChem CID12878164
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Namemethyl 8-aminooctanoate;hydrochloride
SMILESCOC(=O)CCCCCCCN.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-12-9(11)7-5-3-2-4-6-8-10;/h2-8,10H2,1H3;1H
InChIKeyDNMCSEZPFDMEHC-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.88
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

12-Aminododecanoic Acid
CID 69661
11-Aminoundecanoic acid
CID 17083
8-Aminooctanoic acid
CID 66085
2-Azaniumyloctanoate
CID 25200752
10-Aminodecanoic acid
CID 83150
9-Aminononanoic acid
CID 136877
8-Azaniumyloctanoate
CID 6994258
12-Azaniumyldodecanoate
CID 6997239
Methyl 6-aminohexanoate hydrochloride
CID 11499324
Dodecyl 6-aminocaproate
CID 170251
Methyl Aminolaurate
CID 11579518
Methyl 2-Aminodecanoate
CID 14482566

Frequently Asked Questions

What is the IUPAC name of methyl 8-aminooctanoate;hydrochloride?
The IUPAC name of methyl 8-aminooctanoate;hydrochloride (CID 12878164) is methyl 8-aminooctanoate;hydrochloride.
What is the SMILES notation for methyl 8-aminooctanoate;hydrochloride?
The canonical SMILES for methyl 8-aminooctanoate;hydrochloride is COC(=O)CCCCCCCN.Cl.
What is the InChIKey of methyl 8-aminooctanoate;hydrochloride?
The InChIKey is DNMCSEZPFDMEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-12-9(11)7-5-3-2-4-6-8-10;/h2-8,10H2,1H3;1H.
What are the key properties of methyl 8-aminooctanoate;hydrochloride?
methyl 8-aminooctanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-aminooctanoate;hydrochloride is sourced from PubChem (CID 12878164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).