benzyl(trimethyl)azanium;2-hydroxybenzoic acid

C17H22NO3+ — CID 6708827

IUPACbenzyl(trimethyl)azanium;2-hydroxybenzoic acid
SMILESC[N+](C)(C)Cc1ccccc1.O=C(O)c1ccccc1O
InChIInChI=1S/C10H16N.C7H6O3/c1-11(2,3)9-10-7-5-4-6-8-10;8-6-4-2-1-3-5(6)7(9)10/h4-8H,9H2,1-3H3;1-4,8H,(H,9,10)/q+1;
InChIKeyYARFCJCDFBGDFL-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.98
Rot. Bonds3

About benzyl(trimethyl)azanium;2-hydroxybenzoic acid

benzyl(trimethyl)azanium;2-hydroxybenzoic acid (PubChem CID 6708827) has the molecular formula C17H22NO3+ and a molecular weight of 288.37 g/mol. Its IUPAC name is benzyl(trimethyl)azanium;2-hydroxybenzoic acid.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium;2-hydroxybenzoic acid
PubChem CID6708827
Molecular FormulaC17H22NO3+
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Namebenzyl(trimethyl)azanium;2-hydroxybenzoic acid
SMILESC[N+](C)(C)Cc1ccccc1.O=C(O)c1ccccc1O
InChIInChI=1S/C10H16N.C7H6O3/c1-11(2,3)9-10-7-5-4-6-8-10;8-6-4-2-1-3-5(6)7(9)10/h4-8H,9H2,1-3H3;1-4,8H,(H,9,10)/q+1;
InChIKeyYARFCJCDFBGDFL-UHFFFAOYSA-N
XLogP2.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl(trimethyl)azanium;2-carboxybenzoate
CID 160859631
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174928429
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
2-hydroxybenzoic acid;hydrobromide
CID 70122828
2-hydroxybenzoic acid;silver
CID 87326670
CID 87882196
CID 87882196
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;praseodymium
CID 87786006

Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)azanium;2-hydroxybenzoic acid?
The IUPAC name of benzyl(trimethyl)azanium;2-hydroxybenzoic acid (CID 6708827) is benzyl(trimethyl)azanium;2-hydroxybenzoic acid.
What is the SMILES notation for benzyl(trimethyl)azanium;2-hydroxybenzoic acid?
The canonical SMILES for benzyl(trimethyl)azanium;2-hydroxybenzoic acid is C[N+](C)(C)Cc1ccccc1.O=C(O)c1ccccc1O.
What is the InChIKey of benzyl(trimethyl)azanium;2-hydroxybenzoic acid?
The InChIKey is YARFCJCDFBGDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.C7H6O3/c1-11(2,3)9-10-7-5-4-6-8-10;8-6-4-2-1-3-5(6)7(9)10/h4-8H,9H2,1-3H3;1-4,8H,(H,9,10)/q+1;.
What are the key properties of benzyl(trimethyl)azanium;2-hydroxybenzoic acid?
benzyl(trimethyl)azanium;2-hydroxybenzoic acid has a molecular weight of 288.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium;2-hydroxybenzoic acid is sourced from PubChem (CID 6708827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).