2-(dipropylamino)-2-methylbutanoic acid

C11H23NO2 — CID 78969481

IUPAC2-(dipropylamino)-2-methylbutanoic acid
SMILESCCCN(CCC)C(C)(CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-8-12(9-6-2)11(4,7-3)10(13)14/h5-9H2,1-4H3,(H,13,14)
InChIKeyGTKKSYDCNILVIZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.36
Rot. Bonds7

About 2-(dipropylamino)-2-methylbutanoic acid

2-(dipropylamino)-2-methylbutanoic acid (PubChem CID 78969481) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(dipropylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(dipropylamino)-2-methylbutanoic acid
PubChem CID78969481
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(dipropylamino)-2-methylbutanoic acid
SMILESCCCN(CCC)C(C)(CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-8-12(9-6-2)11(4,7-3)10(13)14/h5-9H2,1-4H3,(H,13,14)
InChIKeyGTKKSYDCNILVIZ-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(dipropylamino)-2-methylbutanoic acid (CID 78969481) is 2-(dipropylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(dipropylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(dipropylamino)-2-methylbutanoic acid is CCCN(CCC)C(C)(CC)C(=O)O.
What is the InChIKey of 2-(dipropylamino)-2-methylbutanoic acid?
The InChIKey is GTKKSYDCNILVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8-12(9-6-2)11(4,7-3)10(13)14/h5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-(dipropylamino)-2-methylbutanoic acid?
2-(dipropylamino)-2-methylbutanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-2-methylbutanoic acid is sourced from PubChem (CID 78969481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).