2-methyl-2-(methylamino)butanoic acid

C6H13NO2 — CID 43753572

IUPAC2-methyl-2-(methylamino)butanoic acid
SMILESCCC(C)(NC)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4-6(2,7-3)5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKeyRLSXYPXVDGQGTN-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.46
Rot. Bonds3

About 2-methyl-2-(methylamino)butanoic acid

2-methyl-2-(methylamino)butanoic acid (PubChem CID 43753572) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)butanoic acid
PubChem CID43753572
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name2-methyl-2-(methylamino)butanoic acid
SMILESCCC(C)(NC)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4-6(2,7-3)5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKeyRLSXYPXVDGQGTN-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)butanoic acid (CID 43753572) is 2-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)butanoic acid is CCC(C)(NC)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)butanoic acid?
The InChIKey is RLSXYPXVDGQGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-6(2,7-3)5(8)9/h7H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-methyl-2-(methylamino)butanoic acid?
2-methyl-2-(methylamino)butanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 43753572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).