2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid

C17H20O3 — CID 133245285

IUPAC2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
SMILESCC(C)COC(Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C17H20O3/c1-12(2)11-20-16(17(18)19)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3,(H,18,19)
InChIKeyQXDPFKDIPJKZAL-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.51
Rot. Bonds6

About 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid

2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid (PubChem CID 133245285) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
PubChem CID133245285
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
SMILESCC(C)COC(Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C17H20O3/c1-12(2)11-20-16(17(18)19)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3,(H,18,19)
InChIKeyQXDPFKDIPJKZAL-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-naphthalen-1-yl-2-propoxypropanoic acid
CID 100531857
2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 133241431
(2S)-2-(ethylcarbamoyloxy)-3-naphthalen-1-ylpropanoic acid
CID 70357471
(2R)-2-(3,4-dimethylphenoxy)-3-naphthalen-1-ylpropanoic acid
CID 100531748
2-(3,4-dimethylphenoxy)-3-naphthalen-1-ylpropanoic acid
CID 133150211
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
2-[methyl-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67597873
amino 2-methyl-3-naphthalen-1-ylpropanoate
CID 174381788
3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
CID 133241017
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
2-[(3-methylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245641

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid (CID 133245285) is 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid is CC(C)COC(Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid?
The InChIKey is QXDPFKDIPJKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-12(2)11-20-16(17(18)19)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid?
2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 133245285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).