2-(dimethylamino)butanoic acid

C6H13NO2 — CID 18763804

IUPAC2-(dimethylamino)butanoic acid
SMILESCCC(C(=O)O)N(C)C
InChIInChI=1S/C6H13NO2/c1-4-5(6(8)9)7(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyUNIKQYIJSJGRRS-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.41
Rot. Bonds3

About 2-(dimethylamino)butanoic acid

2-(dimethylamino)butanoic acid (PubChem CID 18763804) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(dimethylamino)butanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)butanoic acid
PubChem CID18763804
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-(dimethylamino)butanoic acid
SMILESCCC(C(=O)O)N(C)C
InChIInChI=1S/C6H13NO2/c1-4-5(6(8)9)7(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyUNIKQYIJSJGRRS-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)butanoic acid?
The IUPAC name of 2-(dimethylamino)butanoic acid (CID 18763804) is 2-(dimethylamino)butanoic acid.
What is the SMILES notation for 2-(dimethylamino)butanoic acid?
The canonical SMILES for 2-(dimethylamino)butanoic acid is CCC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)butanoic acid?
The InChIKey is UNIKQYIJSJGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-5(6(8)9)7(2)3/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-(dimethylamino)butanoic acid?
2-(dimethylamino)butanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)butanoic acid is sourced from PubChem (CID 18763804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).