5-acetamido-6-methoxynaphthalene-2-carboxylic acid

C14H13NO4 — CID 167738433

IUPAC5-acetamido-6-methoxynaphthalene-2-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)ccc2c1NC(C)=O
InChIInChI=1S/C14H13NO4/c1-8(16)15-13-11-5-3-10(14(17)18)7-9(11)4-6-12(13)19-2/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyZJPGZUXOVGTWNH-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.51
Rot. Bonds3

About 5-acetamido-6-methoxynaphthalene-2-carboxylic acid

5-acetamido-6-methoxynaphthalene-2-carboxylic acid (PubChem CID 167738433) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-acetamido-6-methoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-6-methoxynaphthalene-2-carboxylic acid
PubChem CID167738433
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-acetamido-6-methoxynaphthalene-2-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)ccc2c1NC(C)=O
InChIInChI=1S/C14H13NO4/c1-8(16)15-13-11-5-3-10(14(17)18)7-9(11)4-6-12(13)19-2/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyZJPGZUXOVGTWNH-UHFFFAOYSA-N
XLogP2.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-6-cyanonaphthalene-2-carboxylic acid
CID 163963890
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
3,4-dimethoxybenzoic acid;methanol
CID 144580050
1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone
CID 163524039
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
CID 162348534
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-borono-4-methoxybenzoic acid
CID 42614541
4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938
(Z)-4-(5-bromo-6-methoxynaphthalen-2-yl)-4-hydroxybut-3-en-2-one
CID 18462437

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-6-methoxynaphthalene-2-carboxylic acid?
The IUPAC name of 5-acetamido-6-methoxynaphthalene-2-carboxylic acid (CID 167738433) is 5-acetamido-6-methoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-6-methoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 5-acetamido-6-methoxynaphthalene-2-carboxylic acid is COc1ccc2cc(C(=O)O)ccc2c1NC(C)=O.
What is the InChIKey of 5-acetamido-6-methoxynaphthalene-2-carboxylic acid?
The InChIKey is ZJPGZUXOVGTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8(16)15-13-11-5-3-10(14(17)18)7-9(11)4-6-12(13)19-2/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-acetamido-6-methoxynaphthalene-2-carboxylic acid?
5-acetamido-6-methoxynaphthalene-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-6-methoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 167738433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).