2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid

C20H23NO3 — CID 141119046

IUPAC2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid
SMILESCN1[C@H]2CC[C@@H]1[C@H](OCC(=O)O)[C@H](c1ccc3ccccc3c1)C2
InChIInChI=1S/C20H23NO3/c1-21-16-8-9-18(21)20(24-12-19(22)23)17(11-16)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18,20H,8-9,11-12H2,1H3,(H,22,23)/t16-,17-,18+,20+/m0/s1
InChIKeyCKWOZEKRGNWECF-PNYFIKQUSA-N
MW325.41 g/mol
LogP3.26
Rot. Bonds4

About 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid

2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid (PubChem CID 141119046) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid
PubChem CID141119046
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid
SMILESCN1[C@H]2CC[C@@H]1[C@H](OCC(=O)O)[C@H](c1ccc3ccccc3c1)C2
InChIInChI=1S/C20H23NO3/c1-21-16-8-9-18(21)20(24-12-19(22)23)17(11-16)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18,20H,8-9,11-12H2,1H3,(H,22,23)/t16-,17-,18+,20+/m0/s1
InChIKeyCKWOZEKRGNWECF-PNYFIKQUSA-N
XLogP3.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl (1R,2R,3R,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 101064732
[(1R,2S,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]-naphthalen-2-ylmethanone
CID 101014500
N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine
CID 87683274
methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10200108
2-(naphthalen-2-ylmethoxy)-3-[4-(2-phenylmethoxypropoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 22126580
tert-butyl 2-(naphthalen-2-ylmethoxy)-3-[4-(phenylsulfanylmethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 140502170
methyl (2S,3S)-8-methyl-3-[4-(3-phenylprop-1-ynyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 91373114
methyl 8-methyl-3-[4-(2-phenylethyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22896928
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
1-[(1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-3-yl]ethanone;hydrochloride
CID 90680157

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid (CID 141119046) is 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid is CN1[C@H]2CC[C@@H]1[C@H](OCC(=O)O)[C@H](c1ccc3ccccc3c1)C2.
What is the InChIKey of 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid?
The InChIKey is CKWOZEKRGNWECF-PNYFIKQUSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-16-8-9-18(21)20(24-12-19(22)23)17(11-16)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18,20H,8-9,11-12H2,1H3,(H,22,23)/t16-,17-,18+,20+/m0/s1.
What are the key properties of 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid?
2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]oxy]acetic acid is sourced from PubChem (CID 141119046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).