methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride

C8H18ClNO2 — CID 71756963

IUPACmethyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride
SMILESCCC(CC)(CN)C(=O)OC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-8(5-2,6-9)7(10)11-3;/h4-6,9H2,1-3H3;1H
InChIKeyVMUNUUJNPRDFHR-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride

methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride (PubChem CID 71756963) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride
PubChem CID71756963
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namemethyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride
SMILESCCC(CC)(CN)C(=O)OC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-8(5-2,6-9)7(10)11-3;/h4-6,9H2,1-3H3;1H
InChIKeyVMUNUUJNPRDFHR-UHFFFAOYSA-N
XLogP1.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(aminomethyl)-2-ethylbutanoate
CID 14882781
2-(Aminomethyl)-2-ethylbutanoic acid hydrochloride
CID 53398884
Tert-butyl 2-(aminomethyl)-2-ethylbutanoate
CID 54399069
Methyl2-(aminomethyl)-3,3-dimethylbutanoatehydrochloride
CID 155858403
Methyl 2-(aminomethyl)-2-ethylbutanoate
CID 62596586
Methyl 2-(aminomethyl)-3-fluoro-2,3-dimethylbutanoate
CID 105436907
Methyl 2-(aminomethyl)-2-ethyl-3-fluorobutanoate
CID 105436908
Methyl 2-(aminomethyl)-2-(fluoromethyl)-3-methylbutanoate
CID 105436914
Methyl 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoate
CID 105445108
Methyl 2-(aminomethyl)-2-(fluoromethyl)-3,3-dimethylbutanoate
CID 105445113
Methyl 2-(aminomethyl)-2-(1-fluoroethyl)-3-methylbutanoate
CID 105445115
Methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate
CID 105448765

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride?
The IUPAC name of methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride (CID 71756963) is methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride.
What is the SMILES notation for methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride?
The canonical SMILES for methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride is CCC(CC)(CN)C(=O)OC.Cl.
What is the InChIKey of methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride?
The InChIKey is VMUNUUJNPRDFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-4-8(5-2,6-9)7(10)11-3;/h4-6,9H2,1-3H3;1H.
What are the key properties of methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride?
methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-ethylbutanoate;hydrochloride is sourced from PubChem (CID 71756963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).