2-amino-2-(dimethylamino)butanoic acid

C6H14N2O2 — CID 88610523

IUPAC2-amino-2-(dimethylamino)butanoic acid
SMILESCCC(N)(C(=O)O)N(C)C
InChIInChI=1S/C6H14N2O2/c1-4-6(7,5(9)10)8(2)3/h4,7H2,1-3H3,(H,9,10)
InChIKeyKICYEBUYPZVGOC-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.30
Rot. Bonds3

About 2-amino-2-(dimethylamino)butanoic acid

2-amino-2-(dimethylamino)butanoic acid (PubChem CID 88610523) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-amino-2-(dimethylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-2-(dimethylamino)butanoic acid
PubChem CID88610523
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-amino-2-(dimethylamino)butanoic acid
SMILESCCC(N)(C(=O)O)N(C)C
InChIInChI=1S/C6H14N2O2/c1-4-6(7,5(9)10)8(2)3/h4,7H2,1-3H3,(H,9,10)
InChIKeyKICYEBUYPZVGOC-UHFFFAOYSA-N
XLogP-0.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(dimethylamino)butanoic acid?
The IUPAC name of 2-amino-2-(dimethylamino)butanoic acid (CID 88610523) is 2-amino-2-(dimethylamino)butanoic acid.
What is the SMILES notation for 2-amino-2-(dimethylamino)butanoic acid?
The canonical SMILES for 2-amino-2-(dimethylamino)butanoic acid is CCC(N)(C(=O)O)N(C)C.
What is the InChIKey of 2-amino-2-(dimethylamino)butanoic acid?
The InChIKey is KICYEBUYPZVGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4-6(7,5(9)10)8(2)3/h4,7H2,1-3H3,(H,9,10).
What are the key properties of 2-amino-2-(dimethylamino)butanoic acid?
2-amino-2-(dimethylamino)butanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(dimethylamino)butanoic acid is sourced from PubChem (CID 88610523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).