[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium

C13H14NO2+ — CID 7315729

IUPAC[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
SMILESCOC(=O)[C@H]([NH3+])c1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,14H2,1H3/p+1/t12-/m1/s1
InChIKeyLTASPYVMQCESLM-GFCCVEGCSA-O
MW216.26 g/mol
LogP1.30
Rot. Bonds2

About [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium

[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium (PubChem CID 7315729) has the molecular formula C13H14NO2+ and a molecular weight of 216.26 g/mol. Its IUPAC name is [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
PubChem CID7315729
Molecular FormulaC13H14NO2+
Molecular Weight216.26 g/mol
Exact Mass216.10
IUPAC Name[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
SMILESCOC(=O)[C@H]([NH3+])c1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,14H2,1H3/p+1/t12-/m1/s1
InChIKeyLTASPYVMQCESLM-GFCCVEGCSA-O
XLogP1.30
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
dimethyl 2-[(1S)-1-naphthalen-1-ylprop-2-enyl]propanedioate
CID 11001003
1-naphthalen-1-ylethyl carbamate
CID 14959373
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate
CID 19963470
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium?
The IUPAC name of [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium (CID 7315729) is [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium is COC(=O)[C@H]([NH3+])c1cccc2ccccc12.
What is the InChIKey of [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium?
The InChIKey is LTASPYVMQCESLM-GFCCVEGCSA-O. The full InChI is InChI=1S/C13H13NO2/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,14H2,1H3/p+1/t12-/m1/s1.
What are the key properties of [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium?
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium has a molecular weight of 216.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium is sourced from PubChem (CID 7315729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).