octyl 3-aminopropanoate;hydrochloride

C11H24ClNO2 — CID 173393352

IUPACoctyl 3-aminopropanoate;hydrochloride
SMILESCCCCCCCCOC(=O)CCN.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-2-3-4-5-6-7-10-14-11(13)8-9-12;/h2-10,12H2,1H3;1H
InChIKeyLQGGNATZXXFFJN-UHFFFAOYSA-N
MW237.77 g/mol
LogP2.66
Rot. Bonds9

About octyl 3-aminopropanoate;hydrochloride

octyl 3-aminopropanoate;hydrochloride (PubChem CID 173393352) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is octyl 3-aminopropanoate;hydrochloride.

Molecular Properties

Compound Nameoctyl 3-aminopropanoate;hydrochloride
PubChem CID173393352
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Nameoctyl 3-aminopropanoate;hydrochloride
SMILESCCCCCCCCOC(=O)CCN.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-2-3-4-5-6-7-10-14-11(13)8-9-12;/h2-10,12H2,1H3;1H
InChIKeyLQGGNATZXXFFJN-UHFFFAOYSA-N
XLogP2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 52.66
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

dodecyl 4-aminobutanoate
CID 71385737
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
pentyl 7-aminoheptanoate
CID 61304511
4-aminobutyl octadecanoate
CID 57169146
4-aminobutyl decanoate
CID 57039982
pentyl 4-aminobutanoate
CID 14697328
dipentyl pentadecanedioate
CID 87116442
8-undecanoyloxyoctyl undecanoate
CID 90370349
nonyl pentanoate
CID 568602
1-O-hexyl 10-O-octyl decanedioate
CID 91729377

Frequently Asked Questions

What is the IUPAC name of octyl 3-aminopropanoate;hydrochloride?
The IUPAC name of octyl 3-aminopropanoate;hydrochloride (CID 173393352) is octyl 3-aminopropanoate;hydrochloride.
What is the SMILES notation for octyl 3-aminopropanoate;hydrochloride?
The canonical SMILES for octyl 3-aminopropanoate;hydrochloride is CCCCCCCCOC(=O)CCN.Cl.
What is the InChIKey of octyl 3-aminopropanoate;hydrochloride?
The InChIKey is LQGGNATZXXFFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-2-3-4-5-6-7-10-14-11(13)8-9-12;/h2-10,12H2,1H3;1H.
What are the key properties of octyl 3-aminopropanoate;hydrochloride?
octyl 3-aminopropanoate;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 3-aminopropanoate;hydrochloride is sourced from PubChem (CID 173393352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).