methyl 3-(dipropylamino)-2-methylpropanoate

C11H23NO2 — CID 3015534

IUPACmethyl 3-(dipropylamino)-2-methylpropanoate
SMILESCCCN(CCC)CC(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3
InChIKeyVGUXUBAHVQOINX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds7

About methyl 3-(dipropylamino)-2-methylpropanoate

methyl 3-(dipropylamino)-2-methylpropanoate (PubChem CID 3015534) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 3-(dipropylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(dipropylamino)-2-methylpropanoate
PubChem CID3015534
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 3-(dipropylamino)-2-methylpropanoate
SMILESCCCN(CCC)CC(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3
InChIKeyVGUXUBAHVQOINX-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dipropylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(dipropylamino)-2-methylpropanoate (CID 3015534) is methyl 3-(dipropylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(dipropylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(dipropylamino)-2-methylpropanoate is CCCN(CCC)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-(dipropylamino)-2-methylpropanoate?
The InChIKey is VGUXUBAHVQOINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3.
What are the key properties of methyl 3-(dipropylamino)-2-methylpropanoate?
methyl 3-(dipropylamino)-2-methylpropanoate has a molecular weight of 201.31 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dipropylamino)-2-methylpropanoate is sourced from PubChem (CID 3015534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).