[carboxy(hydroxy)methyl]-trimethylazanium

C5H12NO3+ — CID 10197715

IUPAC[carboxy(hydroxy)methyl]-trimethylazanium
SMILESC[N+](C)(C)C(O)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3/p+1
InChIKeyMAENHVPPYCVTDL-UHFFFAOYSA-O
MW134.16 g/mol
LogP-0.90
Rot. Bonds2

About [carboxy(hydroxy)methyl]-trimethylazanium

[carboxy(hydroxy)methyl]-trimethylazanium (PubChem CID 10197715) has the molecular formula C5H12NO3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is [carboxy(hydroxy)methyl]-trimethylazanium.

Molecular Properties

Compound Name[carboxy(hydroxy)methyl]-trimethylazanium
PubChem CID10197715
Molecular FormulaC5H12NO3+
Molecular Weight134.16 g/mol
Exact Mass134.08
IUPAC Name[carboxy(hydroxy)methyl]-trimethylazanium
SMILESC[N+](C)(C)C(O)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3/p+1
InChIKeyMAENHVPPYCVTDL-UHFFFAOYSA-O
XLogP-0.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [carboxy(hydroxy)methyl]-trimethylazanium?
The IUPAC name of [carboxy(hydroxy)methyl]-trimethylazanium (CID 10197715) is [carboxy(hydroxy)methyl]-trimethylazanium.
What is the SMILES notation for [carboxy(hydroxy)methyl]-trimethylazanium?
The canonical SMILES for [carboxy(hydroxy)methyl]-trimethylazanium is C[N+](C)(C)C(O)C(=O)O.
What is the InChIKey of [carboxy(hydroxy)methyl]-trimethylazanium?
The InChIKey is MAENHVPPYCVTDL-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3/p+1.
What are the key properties of [carboxy(hydroxy)methyl]-trimethylazanium?
[carboxy(hydroxy)methyl]-trimethylazanium has a molecular weight of 134.16 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [carboxy(hydroxy)methyl]-trimethylazanium is sourced from PubChem (CID 10197715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).