2,2-dimethyl-3-(methylamino)propanoic acid

C6H13NO2 — CID 21458635

IUPAC2,2-dimethyl-3-(methylamino)propanoic acid
SMILESCNCC(C)(C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-6(2,4-7-3)5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKeyWHZFORZLQNBCRK-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.32
Rot. Bonds3

About 2,2-dimethyl-3-(methylamino)propanoic acid

2,2-dimethyl-3-(methylamino)propanoic acid (PubChem CID 21458635) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)propanoic acid
PubChem CID21458635
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name2,2-dimethyl-3-(methylamino)propanoic acid
SMILESCNCC(C)(C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-6(2,4-7-3)5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKeyWHZFORZLQNBCRK-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-6-(methylamino)hexane-2,4-dione
CID 59862122
2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
CID 79629822
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2,2-dimethylpropanoic acid
CID 107852533
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 79623755
2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
CID 115428852
carbanide;2,2-dimethylbutanoic acid;yttrium
CID 58937622
carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761
3-anilino-2,2-dimethylpropanoic acid
CID 13028386
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
CID 79623675
2-(methylamino)ethane-1,1,1-triol;oxalic acid
CID 87192697
bis(2-(methylamino)ethane-1,1,1-triol);oxalic acid
CID 173028375
3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(methylamino)propanoic acid (CID 21458635) is 2,2-dimethyl-3-(methylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)propanoic acid is CNCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)propanoic acid?
The InChIKey is WHZFORZLQNBCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,4-7-3)5(8)9/h7H,4H2,1-3H3,(H,8,9).
What are the key properties of 2,2-dimethyl-3-(methylamino)propanoic acid?
2,2-dimethyl-3-(methylamino)propanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)propanoic acid is sourced from PubChem (CID 21458635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).