2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid

C14H15NO4 — CID 66808047

IUPAC2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
SMILESCOc1cc2cccc(OC)c2cc1NCC(=O)O
InChIInChI=1S/C14H15NO4/c1-18-12-5-3-4-9-6-13(19-2)11(7-10(9)12)15-8-14(16)17/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyWWSFTGMKXVGVNB-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.35
Rot. Bonds5

About 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid

2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid (PubChem CID 66808047) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
PubChem CID66808047
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
SMILESCOc1cc2cccc(OC)c2cc1NCC(=O)O
InChIInChI=1S/C14H15NO4/c1-18-12-5-3-4-9-6-13(19-2)11(7-10(9)12)15-8-14(16)17/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyWWSFTGMKXVGVNB-UHFFFAOYSA-N
XLogP2.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
2-(2,5-dimethoxy-4-methylsulfanylanilino)acetic acid
CID 115218012
2-[(2-methoxynaphthalen-1-yl)amino]acetic acid
CID 66808022
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol
CID 70908148
2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid
CID 155215325
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
7-iodo-1,6-dimethoxynaphthalene
CID 14004783
2-[[4-(2-fluoro-6-methoxyphenyl)-3-pyridinyl]amino]acetic acid
CID 118002510
2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid
CID 174445455
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470

Frequently Asked Questions

What is the IUPAC name of 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid?
The IUPAC name of 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid (CID 66808047) is 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid is COc1cc2cccc(OC)c2cc1NCC(=O)O.
What is the InChIKey of 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid?
The InChIKey is WWSFTGMKXVGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-12-5-3-4-9-6-13(19-2)11(7-10(9)12)15-8-14(16)17/h3-7,15H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid?
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid is sourced from PubChem (CID 66808047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).