2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium

C11H24NO3+ — CID 134551572

IUPAC2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium
SMILESCC(C)(C)OCC[N+](C)(C)CCC(=O)O
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-9-8-12(4,5)7-6-10(13)14/h6-9H2,1-5H3/p+1
InChIKeyAXZCSFSMLZECHW-UHFFFAOYSA-O
MW218.32 g/mol
LogP1.35
Rot. Bonds6

About 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium

2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium (PubChem CID 134551572) has the molecular formula C11H24NO3+ and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium.

Molecular Properties

Compound Name2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium
PubChem CID134551572
Molecular FormulaC11H24NO3+
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Name2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium
SMILESCC(C)(C)OCC[N+](C)(C)CCC(=O)O
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-9-8-12(4,5)7-6-10(13)14/h6-9H2,1-5H3/p+1
InChIKeyAXZCSFSMLZECHW-UHFFFAOYSA-O
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azaniumyl]propanoate
CID 134551571
2-(2-tert-butyl-2,4,4-trimethylpentanoyl)oxyethyl-(2-carboxyethyl)-dimethylazanium
CID 122576947
5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
CID 161408438
2-carboxyethyl-dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
CID 172766453
3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid
CID 87458955
bis(11-carboxyundecyl)-dimethylazanium
CID 102174919
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927
tert-butyl-(2-carboxyethyl)-(2,2-dimethylpropyl)-methylazanium
CID 153373365
3-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethylsulfanyl]propanoic acid
CID 155228839
3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid
CID 87458831
2-carboxyethyl-dimethyl-octylazanium perchlorate
CID 139824414
2-carboxyethyl-(2-hydroxy-2-methylpentadecyl)-dimethylazanium
CID 88681874

Frequently Asked Questions

What is the IUPAC name of 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium?
The IUPAC name of 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium (CID 134551572) is 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium.
What is the SMILES notation for 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium?
The canonical SMILES for 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium is CC(C)(C)OCC[N+](C)(C)CCC(=O)O.
What is the InChIKey of 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium?
The InChIKey is AXZCSFSMLZECHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)15-9-8-12(4,5)7-6-10(13)14/h6-9H2,1-5H3/p+1.
What are the key properties of 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium?
2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium has a molecular weight of 218.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyethyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium is sourced from PubChem (CID 134551572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).