(2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C24H23NO3 — CID 155804445

IUPAC(2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCc2ccc(OCc3ccccc3-c3ccccc3)cc2C1
InChIInChI=1S/C24H23NO3/c25-24(23(26)27)13-12-17-10-11-21(14-20(17)15-24)28-16-19-8-4-5-9-22(19)18-6-2-1-3-7-18/h1-11,14H,12-13,15-16,25H2,(H,26,27)/t24-/m0/s1
InChIKeyWYFYXQDJHCIQGH-DEOSSOPVSA-N
MW373.45 g/mol
LogP4.20
Rot. Bonds5

About (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

(2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 155804445) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID155804445
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCc2ccc(OCc3ccccc3-c3ccccc3)cc2C1
InChIInChI=1S/C24H23NO3/c25-24(23(26)27)13-12-17-10-11-21(14-20(17)15-24)28-16-19-8-4-5-9-22(19)18-6-2-1-3-7-18/h1-11,14H,12-13,15-16,25H2,(H,26,27)/t24-/m0/s1
InChIKeyWYFYXQDJHCIQGH-DEOSSOPVSA-N
XLogP4.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

{6-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl}acetic acid
CID 23111704
US10227360, Example 27
CID 118326650
2-Amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid
CID 54768269
2-Amino-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 13186882
(2S)-2-amino-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 155804444
alpha-Methyl-O-(phenylmethyl)-L-tyrosine
CID 14019806
(2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid
CID 15725606
4-Amino-4-[6-(cis-4-trifluoromethyl-cyclohexyloxy)-naphthalen-2-yl]-pentanoic acid
CID 67411796
2-Amino-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]pentanoic acid
CID 67412107
5-Amino-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]pentanoic acid
CID 67412109
2-Amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
CID 90345468
2-Amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]-2-methylpropanoic acid
CID 90345476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 155804445) is (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is N[C@@]1(C(=O)O)CCc2ccc(OCc3ccccc3-c3ccccc3)cc2C1.
What is the InChIKey of (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is WYFYXQDJHCIQGH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23NO3/c25-24(23(26)27)13-12-17-10-11-21(14-20(17)15-24)28-16-19-8-4-5-9-22(19)18-6-2-1-3-7-18/h1-11,14H,12-13,15-16,25H2,(H,26,27)/t24-/m0/s1.
What are the key properties of (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
(2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 373.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 155804445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).