1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid

C14H13NO5 — CID 80528186

IUPAC1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid
SMILESCOC(=O)COc1cc(C(=O)O)c(N)c2ccccc12
InChIInChI=1S/C14H13NO5/c1-19-12(16)7-20-11-6-10(14(17)18)13(15)9-5-3-2-4-8(9)11/h2-6H,7,15H2,1H3,(H,17,18)
InChIKeyWYGIKUMQAKVUOQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.67
Rot. Bonds4

About 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid

1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid (PubChem CID 80528186) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid
PubChem CID80528186
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid
SMILESCOC(=O)COc1cc(C(=O)O)c(N)c2ccccc12
InChIInChI=1S/C14H13NO5/c1-19-12(16)7-20-11-6-10(14(17)18)13(15)9-5-3-2-4-8(9)11/h2-6H,7,15H2,1H3,(H,17,18)
InChIKeyWYGIKUMQAKVUOQ-UHFFFAOYSA-N
XLogP1.67
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
CID 172816463
1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid
CID 80689283
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919
1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 3023257
1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid
CID 23464074
methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate
CID 43380203
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 2-quinolin-4-yloxyacetate
CID 151479480
CID 58544147
CID 58544147
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid (CID 80528186) is 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid is COC(=O)COc1cc(C(=O)O)c(N)c2ccccc12.
What is the InChIKey of 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid?
The InChIKey is WYGIKUMQAKVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-12(16)7-20-11-6-10(14(17)18)13(15)9-5-3-2-4-8(9)11/h2-6H,7,15H2,1H3,(H,17,18).
What are the key properties of 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid?
1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 80528186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).