ethyl 8-aminooctanoate

C10H21NO2 — CID 12878165

IUPACethyl 8-aminooctanoate
SMILESCCOC(=O)CCCCCCCN
InChIInChI=1S/C10H21NO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9,11H2,1H3
InChIKeySOEKHKUVUYSJOZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.85
Rot. Bonds8

About ethyl 8-aminooctanoate

ethyl 8-aminooctanoate (PubChem CID 12878165) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 8-aminooctanoate.

Molecular Properties

Compound Nameethyl 8-aminooctanoate
PubChem CID12878165
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 8-aminooctanoate
SMILESCCOC(=O)CCCCCCCN
InChIInChI=1S/C10H21NO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9,11H2,1H3
InChIKeySOEKHKUVUYSJOZ-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.85
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

8-Azaniumyloctanoate
CID 6994258
12-Azaniumyldodecanoate
CID 6997239
Ethyl 7-amino-2-(propanoylselanylmethyl)heptanoate
CID 66563223
Dodecyl 6-aminocaproate
CID 170251
Methyl Aminolaurate
CID 11579518
Methyl 2-Aminodecanoate
CID 14482566
Dodecyl 6-aminohexanoate;hydrochloride
CID 46887841
Ethyl 6-aminohexanoate
CID 406972
2-Aminoethyl dodecanoate
CID 414633
10-Azaniumyldecanoate
CID 2063379
11-Azaniumylundecanoate
CID 6995632
9-Azaniumylnonanoate
CID 36690094

Frequently Asked Questions

What is the IUPAC name of ethyl 8-aminooctanoate?
The IUPAC name of ethyl 8-aminooctanoate (CID 12878165) is ethyl 8-aminooctanoate.
What is the SMILES notation for ethyl 8-aminooctanoate?
The canonical SMILES for ethyl 8-aminooctanoate is CCOC(=O)CCCCCCCN.
What is the InChIKey of ethyl 8-aminooctanoate?
The InChIKey is SOEKHKUVUYSJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9,11H2,1H3.
What are the key properties of ethyl 8-aminooctanoate?
ethyl 8-aminooctanoate has a molecular weight of 187.28 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-aminooctanoate is sourced from PubChem (CID 12878165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).