3-(diethylamino)-2-methylpropanoic acid

C8H17NO2 — CID 43538708

IUPAC3-(diethylamino)-2-methylpropanoic acid
SMILESCCN(CC)CC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-9(5-2)6-7(3)8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVHSXFBBONITFLH-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds5

About 3-(diethylamino)-2-methylpropanoic acid

3-(diethylamino)-2-methylpropanoic acid (PubChem CID 43538708) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(diethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(diethylamino)-2-methylpropanoic acid
PubChem CID43538708
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(diethylamino)-2-methylpropanoic acid
SMILESCCN(CC)CC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-9(5-2)6-7(3)8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVHSXFBBONITFLH-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(diethylamino)-2-methylpropanoic acid (CID 43538708) is 3-(diethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(diethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(diethylamino)-2-methylpropanoic acid is CCN(CC)CC(C)C(=O)O.
What is the InChIKey of 3-(diethylamino)-2-methylpropanoic acid?
The InChIKey is VHSXFBBONITFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-9(5-2)6-7(3)8(10)11/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-(diethylamino)-2-methylpropanoic acid?
3-(diethylamino)-2-methylpropanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 43538708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).