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

C13H11NO4 — CID 964401

IUPAC2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
SMILESNC(=O)COc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C13H11NO4/c14-11(15)7-18-10-6-5-8-3-1-2-4-9(8)12(10)13(16)17/h1-6H,7H2,(H2,14,15)(H,16,17)
InChIKeyLTYLQNCPZNKZKA-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.40
Rot. Bonds4

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

2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid (PubChem CID 964401) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
PubChem CID964401
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
SMILESNC(=O)COc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C13H11NO4/c14-11(15)7-18-10-6-5-8-3-1-2-4-9(8)12(10)13(16)17/h1-6H,7H2,(H2,14,15)(H,16,17)
InChIKeyLTYLQNCPZNKZKA-UHFFFAOYSA-N
XLogP1.40
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
CID 43505650
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
2-[[1-[2-[(1-carboxynaphthalen-2-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylic acid
CID 171648145
2-[2-(2,5-dimethylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 20990513
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]naphthalene-1-carboxylic acid
CID 43505628
5-[[2-(2-amino-2-oxoethoxy)naphthalen-1-yl]methylamino]-2-chlorobenzoic acid
CID 17058502
methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate
CID 102438824
2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
CID 57145016
2-(2-hydroxyphenoxy)acetamide
CID 786426

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid?
The IUPAC name of 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid (CID 964401) is 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid is NC(=O)COc1ccc2ccccc2c1C(=O)O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid?
The InChIKey is LTYLQNCPZNKZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c14-11(15)7-18-10-6-5-8-3-1-2-4-9(8)12(10)13(16)17/h1-6H,7H2,(H2,14,15)(H,16,17).
What are the key properties of 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid?
2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid is sourced from PubChem (CID 964401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).