3,3-dimethyl-4-(methylamino)butanoic acid

C7H15NO2 — CID 20643478

IUPAC3,3-dimethyl-4-(methylamino)butanoic acid
SMILESCNCC(C)(C)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,5-8-3)4-6(9)10/h8H,4-5H2,1-3H3,(H,9,10)
InChIKeyJXWSNWGMAFYUBM-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.71
Rot. Bonds4

About 3,3-dimethyl-4-(methylamino)butanoic acid

3,3-dimethyl-4-(methylamino)butanoic acid (PubChem CID 20643478) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3,3-dimethyl-4-(methylamino)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-(methylamino)butanoic acid
PubChem CID20643478
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3,3-dimethyl-4-(methylamino)butanoic acid
SMILESCNCC(C)(C)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,5-8-3)4-6(9)10/h8H,4-5H2,1-3H3,(H,9,10)
InChIKeyJXWSNWGMAFYUBM-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(methylamino)butanoic acid?
The IUPAC name of 3,3-dimethyl-4-(methylamino)butanoic acid (CID 20643478) is 3,3-dimethyl-4-(methylamino)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-(methylamino)butanoic acid?
The canonical SMILES for 3,3-dimethyl-4-(methylamino)butanoic acid is CNCC(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-4-(methylamino)butanoic acid?
The InChIKey is JXWSNWGMAFYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,5-8-3)4-6(9)10/h8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 3,3-dimethyl-4-(methylamino)butanoic acid?
3,3-dimethyl-4-(methylamino)butanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(methylamino)butanoic acid is sourced from PubChem (CID 20643478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).