ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride

C8H18ClNO2 — CID 71757651

IUPACethyl 3-methyl-3-(methylamino)butanoate;hydrochloride
SMILESCCOC(=O)CC(C)(C)NC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-5-11-7(10)6-8(2,3)9-4;/h9H,5-6H2,1-4H3;1H
InChIKeyJHTRDXPAHBVVCV-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.36
Rot. Bonds4

About ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride

ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride (PubChem CID 71757651) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-methyl-3-(methylamino)butanoate;hydrochloride
PubChem CID71757651
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nameethyl 3-methyl-3-(methylamino)butanoate;hydrochloride
SMILESCCOC(=O)CC(C)(C)NC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-5-11-7(10)6-8(2,3)9-4;/h9H,5-6H2,1-4H3;1H
InChIKeyJHTRDXPAHBVVCV-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride?
The IUPAC name of ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride (CID 71757651) is ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride.
What is the SMILES notation for ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride?
The canonical SMILES for ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride is CCOC(=O)CC(C)(C)NC.Cl.
What is the InChIKey of ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride?
The InChIKey is JHTRDXPAHBVVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-5-11-7(10)6-8(2,3)9-4;/h9H,5-6H2,1-4H3;1H.
What are the key properties of ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride?
ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-3-(methylamino)butanoate;hydrochloride is sourced from PubChem (CID 71757651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).