3-(dimethylamino)-2-methylpropanoic acid

C6H13NO2 — CID 14073324

IUPAC3-(dimethylamino)-2-methylpropanoic acid
SMILESCC(CN(C)C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-5(6(8)9)4-7(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyJZRKIWQSOIPFET-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.27
Rot. Bonds3

About 3-(dimethylamino)-2-methylpropanoic acid

3-(dimethylamino)-2-methylpropanoic acid (PubChem CID 14073324) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylpropanoic acid
PubChem CID14073324
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-(dimethylamino)-2-methylpropanoic acid
SMILESCC(CN(C)C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-5(6(8)9)4-7(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyJZRKIWQSOIPFET-UHFFFAOYSA-N
XLogP0.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(dimethylamino)-2-methylpropanoic acid (CID 14073324) is 3-(dimethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(dimethylamino)-2-methylpropanoic acid is CC(CN(C)C)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-2-methylpropanoic acid?
The InChIKey is JZRKIWQSOIPFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(6(8)9)4-7(2)3/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 3-(dimethylamino)-2-methylpropanoic acid?
3-(dimethylamino)-2-methylpropanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 14073324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).