2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride

C17H24ClNO3 — CID 175051749

IUPAC2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride
SMILESC[N+](C)(C)CCO.O=C(O)Cc1cccc2ccccc12.[Cl-]
InChIInChI=1S/C12H10O2.C5H14NO.ClH/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-6(2,3)4-5-7;/h1-7H,8H2,(H,13,14);7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyDVOHHWZTNILFMS-UHFFFAOYSA-M
MW325.84 g/mol
LogP-0.84
Rot. Bonds4

About 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride

2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride (PubChem CID 175051749) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride
PubChem CID175051749
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride
SMILESC[N+](C)(C)CCO.O=C(O)Cc1cccc2ccccc12.[Cl-]
InChIInChI=1S/C12H10O2.C5H14NO.ClH/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-6(2,3)4-5-7;/h1-7H,8H2,(H,13,14);7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyDVOHHWZTNILFMS-UHFFFAOYSA-M
XLogP-0.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 5-0.84
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

acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
2-hydroxybenzoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174928429
dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)
CID 139066806
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride (CID 175051749) is 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride is C[N+](C)(C)CCO.O=C(O)Cc1cccc2ccccc12.[Cl-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride?
The InChIKey is DVOHHWZTNILFMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O2.C5H14NO.ClH/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-6(2,3)4-5-7;/h1-7H,8H2,(H,13,14);7H,4-5H2,1-3H3;1H/q;+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride?
2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride has a molecular weight of 325.84 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride is sourced from PubChem (CID 175051749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).