(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride

C16H20ClNO2 — CID 22888

IUPAC(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride
SMILESC[NH+](C)CCC(C(=O)O)c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C16H19NO2.ClH/c1-17(2)11-10-15(16(18)19)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,15H,10-11H2,1-2H3,(H,18,19);1H
InChIKeyBXBJUMXEJDVCIO-UHFFFAOYSA-N
MW293.79 g/mol
LogP-1.45
Rot. Bonds5

About (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride

(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride (PubChem CID 22888) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride.

Molecular Properties

Compound Name(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride
PubChem CID22888
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride
SMILESC[NH+](C)CCC(C(=O)O)c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C16H19NO2.ClH/c1-17(2)11-10-15(16(18)19)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,15H,10-11H2,1-2H3,(H,18,19);1H
InChIKeyBXBJUMXEJDVCIO-UHFFFAOYSA-N
XLogP-1.45
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-1-yldodecanoic acid
CID 23333439
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-naphthalen-1-ylpentanoate
CID 154825316
(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
CID 94734384
8-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-yloctanoic acid
CID 90182349
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708
3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoic acid
CID 10831354
2-(4-methylphenyl)-4,4-dinaphthalen-1-ylbutanoic acid
CID 77183065
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950
2-quinolin-5-ylpentanoic acid
CID 83042751

Frequently Asked Questions

What is the IUPAC name of (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride?
The IUPAC name of (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride (CID 22888) is (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride.
What is the SMILES notation for (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride?
The canonical SMILES for (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride is C[NH+](C)CCC(C(=O)O)c1cccc2ccccc12.[Cl-].
What is the InChIKey of (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride?
The InChIKey is BXBJUMXEJDVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-17(2)11-10-15(16(18)19)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,15H,10-11H2,1-2H3,(H,18,19);1H.
What are the key properties of (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride?
(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride has a molecular weight of 293.79 g/mol, XLogP of -1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride is sourced from PubChem (CID 22888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).