methyl 8-aminooctanoate

C9H19NO2 — CID 12878163

IUPACmethyl 8-aminooctanoate
SMILESCOC(=O)CCCCCCCN
InChIInChI=1S/C9H19NO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8,10H2,1H3
InChIKeyZYKOKVARXPKXFW-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds7

About methyl 8-aminooctanoate

methyl 8-aminooctanoate (PubChem CID 12878163) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 8-aminooctanoate.

Molecular Properties

Compound Namemethyl 8-aminooctanoate
PubChem CID12878163
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 8-aminooctanoate
SMILESCOC(=O)CCCCCCCN
InChIInChI=1S/C9H19NO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8,10H2,1H3
InChIKeyZYKOKVARXPKXFW-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
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
8-Azaniumyl-7-oxononanoate
CID 25244029
10-Aminodecanoic acid
CID 83150
9-Aminononanoic acid
CID 136877
(S)-8-amino-7-oxononanoate
CID 36688192
8-Azaniumyloctanoate
CID 6994258
12-Azaniumyldodecanoate
CID 6997239
Octanoic acid, compd. with 1-octanamine (1:1)
CID 161224
Methyl 6-aminohexanoate hydrochloride
CID 11499324

Frequently Asked Questions

What is the IUPAC name of methyl 8-aminooctanoate?
The IUPAC name of methyl 8-aminooctanoate (CID 12878163) is methyl 8-aminooctanoate.
What is the SMILES notation for methyl 8-aminooctanoate?
The canonical SMILES for methyl 8-aminooctanoate is COC(=O)CCCCCCCN.
What is the InChIKey of methyl 8-aminooctanoate?
The InChIKey is ZYKOKVARXPKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8,10H2,1H3.
What are the key properties of methyl 8-aminooctanoate?
methyl 8-aminooctanoate has a molecular weight of 173.26 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-aminooctanoate is sourced from PubChem (CID 12878163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).