2-carboxypropan-2-yl(trimethyl)azanium

C7H16NO2+ — CID 21226529

IUPAC2-carboxypropan-2-yl(trimethyl)azanium
SMILESCC(C)(C(=O)O)[N+](C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,6(9)10)8(3,4)5/h1-5H3/p+1
InChIKeyOMEQVEUEQOCEHZ-UHFFFAOYSA-O
MW146.21 g/mol
LogP0.56
Rot. Bonds2

About 2-carboxypropan-2-yl(trimethyl)azanium

2-carboxypropan-2-yl(trimethyl)azanium (PubChem CID 21226529) has the molecular formula C7H16NO2+ and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-carboxypropan-2-yl(trimethyl)azanium.

Molecular Properties

Compound Name2-carboxypropan-2-yl(trimethyl)azanium
PubChem CID21226529
Molecular FormulaC7H16NO2+
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-carboxypropan-2-yl(trimethyl)azanium
SMILESCC(C)(C(=O)O)[N+](C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,6(9)10)8(3,4)5/h1-5H3/p+1
InChIKeyOMEQVEUEQOCEHZ-UHFFFAOYSA-O
XLogP0.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylalanine
CID 5488191
1-(Dimethylamino)cyclopropane-1-carboxylic acid
CID 386199
2-Dimethylamino-propionic acid
CID 11788290
2,2-Dimethylnitrilotriacetate
CID 3082043
(2R)-2-(dimethylamino)propanoic acid
CID 151045
2-(Dimethylamino)-2-methylpropanoic acid hydrochloride
CID 13370336
(2R)-2-(diethylamino)propanoic acid
CID 15115621
2-methyl-2-(N-methylacetamido)propanoic acid
CID 23279431
Trimethylalanine
CID 151418
N,N-diethylalanine
CID 15115622
Diethyl-L-alanine
CID 18664197
Dimethyl betaine
CID 21226528

Frequently Asked Questions

What is the IUPAC name of 2-carboxypropan-2-yl(trimethyl)azanium?
The IUPAC name of 2-carboxypropan-2-yl(trimethyl)azanium (CID 21226529) is 2-carboxypropan-2-yl(trimethyl)azanium.
What is the SMILES notation for 2-carboxypropan-2-yl(trimethyl)azanium?
The canonical SMILES for 2-carboxypropan-2-yl(trimethyl)azanium is CC(C)(C(=O)O)[N+](C)(C)C.
What is the InChIKey of 2-carboxypropan-2-yl(trimethyl)azanium?
The InChIKey is OMEQVEUEQOCEHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO2/c1-7(2,6(9)10)8(3,4)5/h1-5H3/p+1.
What are the key properties of 2-carboxypropan-2-yl(trimethyl)azanium?
2-carboxypropan-2-yl(trimethyl)azanium has a molecular weight of 146.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxypropan-2-yl(trimethyl)azanium is sourced from PubChem (CID 21226529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).