methyl 2-amino-2-butylhexanoate;hydrochloride

C11H24ClNO2 — CID 162216697

IUPACmethyl 2-amino-2-butylhexanoate;hydrochloride
SMILESCCCCC(N)(CCCC)C(=O)OC.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-4-6-8-11(12,9-7-5-2)10(13)14-3;/h4-9,12H2,1-3H3;1H
InChIKeyZTOHPJGVGNFOIS-UHFFFAOYSA-N
MW237.77 g/mol
LogP2.66
Rot. Bonds7

About methyl 2-amino-2-butylhexanoate;hydrochloride

methyl 2-amino-2-butylhexanoate;hydrochloride (PubChem CID 162216697) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is methyl 2-amino-2-butylhexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-butylhexanoate;hydrochloride
PubChem CID162216697
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Namemethyl 2-amino-2-butylhexanoate;hydrochloride
SMILESCCCCC(N)(CCCC)C(=O)OC.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-4-6-8-11(12,9-7-5-2)10(13)14-3;/h4-9,12H2,1-3H3;1H
InChIKeyZTOHPJGVGNFOIS-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
methyl 2-amino-2-ethylpentanoate
CID 88885307
sulfino 2-amino-2-butylhexanoate
CID 59925768
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
3-amino-3-butylheptan-2-one
CID 59925813
azane;methyl 2-amino-2-hydroxytetradecanoate
CID 174591191
methyl 2-butyl-2-(hydroxymethyl)hexanoate
CID 175319412
methyl 2-methoxy-2-methylhexanoate
CID 91619299
methyl 2-(acetyloxymethyl)-2-butylhexanoate
CID 174735113
methyl 2-butyl-2-(dimethylamino)hexanoate
CID 598500
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-butylhexanoate;hydrochloride?
The IUPAC name of methyl 2-amino-2-butylhexanoate;hydrochloride (CID 162216697) is methyl 2-amino-2-butylhexanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-butylhexanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-butylhexanoate;hydrochloride is CCCCC(N)(CCCC)C(=O)OC.Cl.
What is the InChIKey of methyl 2-amino-2-butylhexanoate;hydrochloride?
The InChIKey is ZTOHPJGVGNFOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-4-6-8-11(12,9-7-5-2)10(13)14-3;/h4-9,12H2,1-3H3;1H.
What are the key properties of methyl 2-amino-2-butylhexanoate;hydrochloride?
methyl 2-amino-2-butylhexanoate;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-butylhexanoate;hydrochloride is sourced from PubChem (CID 162216697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).