(2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate

C13H13NO3 — CID 7128411

IUPAC(2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate
SMILESCOc1ccc([C@@H]([NH3+])C(=O)[O-])c2ccccc12
InChIInChI=1S/C13H13NO3/c1-17-11-7-6-10(12(14)13(15)16)8-4-2-3-5-9(8)11/h2-7,12H,14H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyGJOJMRIHNOFQBJ-GFCCVEGCSA-N
MW231.25 g/mol
LogP-0.12
Rot. Bonds3

About (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate

(2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate (PubChem CID 7128411) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate
PubChem CID7128411
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate
SMILESCOc1ccc([C@@H]([NH3+])C(=O)[O-])c2ccccc12
InChIInChI=1S/C13H13NO3/c1-17-11-7-6-10(12(14)13(15)16)8-4-2-3-5-9(8)11/h2-7,12H,14H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyGJOJMRIHNOFQBJ-GFCCVEGCSA-N
XLogP-0.12
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
CID 170830867
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945823
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
(4-methoxynaphthalen-1-yl) 2-methylpropanoate
CID 142734241
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate?
The IUPAC name of (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate (CID 7128411) is (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate.
What is the SMILES notation for (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate?
The canonical SMILES for (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate is COc1ccc([C@@H]([NH3+])C(=O)[O-])c2ccccc12.
What is the InChIKey of (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate?
The InChIKey is GJOJMRIHNOFQBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-11-7-6-10(12(14)13(15)16)8-4-2-3-5-9(8)11/h2-7,12H,14H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate?
(2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate has a molecular weight of 231.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 7128411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).