(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid

C16H17NO3 — CID 7148292

IUPAC(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
SMILESCOc1ccccc1N[C@@H](C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO3/c1-11-7-9-12(10-8-11)15(16(18)19)17-13-5-3-4-6-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyJFJDQCJOQVTAOH-OAHLLOKOSA-N
MW271.32 g/mol
LogP3.24
Rot. Bonds5

About (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid

(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid (PubChem CID 7148292) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
PubChem CID7148292
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
SMILESCOc1ccccc1N[C@@H](C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO3/c1-11-7-9-12(10-8-11)15(16(18)19)17-13-5-3-4-6-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyJFJDQCJOQVTAOH-OAHLLOKOSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
CID 7148291
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 54890874
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid?
The IUPAC name of (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid (CID 7148292) is (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid?
The canonical SMILES for (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid is COc1ccccc1N[C@@H](C(=O)O)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid?
The InChIKey is JFJDQCJOQVTAOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-7-9-12(10-8-11)15(16(18)19)17-13-5-3-4-6-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid?
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 7148292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).