ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride

C8H18ClNO2 — CID 71332524

IUPACethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)C(CN)C(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(5-9)6(2)3;/h6-7H,4-5,9H2,1-3H3;1H
InChIKeyALVHBBKMWUWIFK-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.20
Rot. Bonds4

About ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride

ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride (PubChem CID 71332524) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride
PubChem CID71332524
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nameethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)C(CN)C(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(5-9)6(2)3;/h6-7H,4-5,9H2,1-3H3;1H
InChIKeyALVHBBKMWUWIFK-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride?
The IUPAC name of ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride (CID 71332524) is ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride?
The canonical SMILES for ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride is CCOC(=O)C(CN)C(C)C.Cl.
What is the InChIKey of ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride?
The InChIKey is ALVHBBKMWUWIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(5-9)6(2)3;/h6-7H,4-5,9H2,1-3H3;1H.
What are the key properties of ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride?
ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 71332524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).