methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide

C7H16BrNO2 — CID 3070304

IUPACmethyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide
SMILESBr.COC(=O)C(C)CN(C)C
InChIInChI=1S/C7H15NO2.BrH/c1-6(5-8(2)3)7(9)10-4;/h6H,5H2,1-4H3;1H
InChIKeyVIPHFKCBHWJPIU-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.94
Rot. Bonds3

About methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide

methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide (PubChem CID 3070304) has the molecular formula C7H16BrNO2 and a molecular weight of 226.11 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide
PubChem CID3070304
Molecular FormulaC7H16BrNO2
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Namemethyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide
SMILESBr.COC(=O)C(C)CN(C)C
InChIInChI=1S/C7H15NO2.BrH/c1-6(5-8(2)3)7(9)10-4;/h6H,5H2,1-4H3;1H
InChIKeyVIPHFKCBHWJPIU-UHFFFAOYSA-N
XLogP0.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide?
The IUPAC name of methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide (CID 3070304) is methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide.
What is the SMILES notation for methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide?
The canonical SMILES for methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide is Br.COC(=O)C(C)CN(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide?
The InChIKey is VIPHFKCBHWJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.BrH/c1-6(5-8(2)3)7(9)10-4;/h6H,5H2,1-4H3;1H.
What are the key properties of methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide?
methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide has a molecular weight of 226.11 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide is sourced from PubChem (CID 3070304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).