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

C9H20BrNO2 — CID 3070305

IUPACmethyl 3-(diethylamino)-2-methylpropanoate;hydrobromide
SMILESBr.CCN(CC)CC(C)C(=O)OC
InChIInChI=1S/C9H19NO2.BrH/c1-5-10(6-2)7-8(3)9(11)12-4;/h8H,5-7H2,1-4H3;1H
InChIKeyNDVOGSCHOZOWOF-UHFFFAOYSA-N
MW254.17 g/mol
LogP1.72
Rot. Bonds5

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

methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide (PubChem CID 3070305) has the molecular formula C9H20BrNO2 and a molecular weight of 254.17 g/mol. Its IUPAC name is methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-2-methylpropanoate;hydrobromide
PubChem CID3070305
Molecular FormulaC9H20BrNO2
Molecular Weight254.17 g/mol
Exact Mass253.07
IUPAC Namemethyl 3-(diethylamino)-2-methylpropanoate;hydrobromide
SMILESBr.CCN(CC)CC(C)C(=O)OC
InChIInChI=1S/C9H19NO2.BrH/c1-5-10(6-2)7-8(3)9(11)12-4;/h8H,5-7H2,1-4H3;1H
InChIKeyNDVOGSCHOZOWOF-UHFFFAOYSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide?
The IUPAC name of methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide (CID 3070305) is methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide.
What is the SMILES notation for methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide?
The canonical SMILES for methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide is Br.CCN(CC)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide?
The InChIKey is NDVOGSCHOZOWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.BrH/c1-5-10(6-2)7-8(3)9(11)12-4;/h8H,5-7H2,1-4H3;1H.
What are the key properties of methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide?
methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide has a molecular weight of 254.17 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)-2-methylpropanoate;hydrobromide is sourced from PubChem (CID 3070305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).