ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride

C9H20ClNO2 — CID 16641204

IUPACethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride
SMILESCCOC(=O)C(CN)CC(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-12-9(11)8(6-10)5-7(2)3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyTYCIQBBYXXRHEU-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.59
Rot. Bonds5

About ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride

ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride (PubChem CID 16641204) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride
PubChem CID16641204
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Nameethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride
SMILESCCOC(=O)C(CN)CC(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-12-9(11)8(6-10)5-7(2)3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyTYCIQBBYXXRHEU-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride?
The IUPAC name of ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride (CID 16641204) is ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride.
What is the SMILES notation for ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride?
The canonical SMILES for ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride is CCOC(=O)C(CN)CC(C)C.Cl.
What is the InChIKey of ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride?
The InChIKey is TYCIQBBYXXRHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-4-12-9(11)8(6-10)5-7(2)3;/h7-8H,4-6,10H2,1-3H3;1H.
What are the key properties of ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride?
ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 16641204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).