3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid

C14H13NO4 — CID 18069619

IUPAC3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
SMILESCNC(=O)COc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C14H13NO4/c1-15-13(16)8-19-12-7-10-5-3-2-4-9(10)6-11(12)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyAKBMEZYGEZIZEI-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.66
Rot. Bonds4

About 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid

3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid (PubChem CID 18069619) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
PubChem CID18069619
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
SMILESCNC(=O)COc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C14H13NO4/c1-15-13(16)8-19-12-7-10-5-3-2-4-9(10)6-11(12)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyAKBMEZYGEZIZEI-UHFFFAOYSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid
CID 24698009
6-[2-(methylamino)-2-oxoethoxy]-1,3-benzodioxole-5-carboxylic acid
CID 54980156
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252
3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702043
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
3-(2-methylbutoxy)naphthalene-2-carboxylic acid
CID 62104724
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
5-bromo-3-methyl-2-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 112620831
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid (CID 18069619) is 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid is CNC(=O)COc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The InChIKey is AKBMEZYGEZIZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-15-13(16)8-19-12-7-10-5-3-2-4-9(10)6-11(12)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 18069619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).