ethyl 3-amino-7-methyloctanoate;hydrochloride

C11H24ClNO2 — CID 155858971

IUPACethyl 3-amino-7-methyloctanoate;hydrochloride
SMILESCCOC(=O)CC(N)CCCC(C)C.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-4-14-11(13)8-10(12)7-5-6-9(2)3;/h9-10H,4-8,12H2,1-3H3;1H
InChIKeyRSDDCUPNQCEXMN-UHFFFAOYSA-N
MW237.77 g/mol
LogP2.52
Rot. Bonds7

About ethyl 3-amino-7-methyloctanoate;hydrochloride

ethyl 3-amino-7-methyloctanoate;hydrochloride (PubChem CID 155858971) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is ethyl 3-amino-7-methyloctanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-7-methyloctanoate;hydrochloride
PubChem CID155858971
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Nameethyl 3-amino-7-methyloctanoate;hydrochloride
SMILESCCOC(=O)CC(N)CCCC(C)C.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-4-14-11(13)8-10(12)7-5-6-9(2)3;/h9-10H,4-8,12H2,1-3H3;1H
InChIKeyRSDDCUPNQCEXMN-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-amino-6-hydroxyhexanoate
CID 129027170
ethyl 17-methyloctadecanoate
CID 122524767
bismuthane;ethyl 6-methylheptanoate
CID 175540267
ethyl (2S,3S)-2-amino-3-hydroxy-15-methylhexadecanoate
CID 124639855
ethyl (3S)-3-amino-7-methyloct-6-enoate
CID 129027136
tris(4-O-ethyl 1-O-methyl butanedioate);methane;bis(2-methyldodecane);tetrakis(2-methyltridecane);bis(2-methylundecane)
CID 160546445
methyl (3S)-3-aminotetradecanoate
CID 162514819
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
ethyl 3-butylnonanoate
CID 131636821
butyl 3-aminooctanoate
CID 87883876
ethyl 3-[bis(3-methylbutyl)amino]butanoate
CID 107870305
ethyl 3-hydroxy-3,7-dimethyloctanoate
CID 3020061

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-7-methyloctanoate;hydrochloride?
The IUPAC name of ethyl 3-amino-7-methyloctanoate;hydrochloride (CID 155858971) is ethyl 3-amino-7-methyloctanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-7-methyloctanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-7-methyloctanoate;hydrochloride is CCOC(=O)CC(N)CCCC(C)C.Cl.
What is the InChIKey of ethyl 3-amino-7-methyloctanoate;hydrochloride?
The InChIKey is RSDDCUPNQCEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-4-14-11(13)8-10(12)7-5-6-9(2)3;/h9-10H,4-8,12H2,1-3H3;1H.
What are the key properties of ethyl 3-amino-7-methyloctanoate;hydrochloride?
ethyl 3-amino-7-methyloctanoate;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-7-methyloctanoate;hydrochloride is sourced from PubChem (CID 155858971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).