2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C27H23NO3 — CID 169210271

IUPAC2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2ccc(Oc3ccccc3-c3cccc4ccccc34)cc2C1
InChIInChI=1S/C27H23NO3/c28-27(26(29)30)15-14-18-12-13-21(16-20(18)17-27)31-25-11-4-3-9-24(25)23-10-5-7-19-6-1-2-8-22(19)23/h1-13,16H,14-15,17,28H2,(H,29,30)
InChIKeyPAWMKUCVZNEHGS-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.57
Rot. Bonds4

About 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 169210271) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID169210271
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2ccc(Oc3ccccc3-c3cccc4ccccc34)cc2C1
InChIInChI=1S/C27H23NO3/c28-27(26(29)30)15-14-18-12-13-21(16-20(18)17-27)31-25-11-4-3-9-24(25)23-10-5-7-19-6-1-2-8-22(19)23/h1-13,16H,14-15,17,28H2,(H,29,30)
InChIKeyPAWMKUCVZNEHGS-UHFFFAOYSA-N
XLogP5.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-7-[2-(2,3,4,5,6-pentafluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210392
2-amino-7-[2-(3-ethylphenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210342
2-amino-7-naphthalen-2-yloxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210308
2-amino-7-[2-(3-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107704
2-amino-7-(2-pyridin-2-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210210
2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210405
2-amino-7-anthracen-2-yloxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107867
2-amino-7-[2-(3,4-difluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107703
2-amino-7-[2-(3-chloro-4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107896
2-amino-7-(6-fluoronaphthalen-2-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210418
2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210305
[2-carboxy-7-[2-(2-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalen-2-yl]azanium chloride
CID 169210384

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 169210271) is 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is NC1(C(=O)O)CCc2ccc(Oc3ccccc3-c3cccc4ccccc34)cc2C1.
What is the InChIKey of 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is PAWMKUCVZNEHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c28-27(26(29)30)15-14-18-12-13-21(16-20(18)17-27)31-25-11-4-3-9-24(25)23-10-5-7-19-6-1-2-8-22(19)23/h1-13,16H,14-15,17,28H2,(H,29,30).
What are the key properties of 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 409.49 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 169210271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).