2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid

C15H15NO4 — CID 60993438

IUPAC2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H15NO4/c1-20-13-5-3-2-4-12(13)16-14(15(18)19)10-6-8-11(17)9-7-10/h2-9,14,16-17H,1H3,(H,18,19)
InChIKeyOZQRSKOHKQTMGJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.64
Rot. Bonds5

About 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid

2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid (PubChem CID 60993438) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
PubChem CID60993438
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H15NO4/c1-20-13-5-3-2-4-12(13)16-14(15(18)19)10-6-8-11(17)9-7-10/h2-9,14,16-17H,1H3,(H,18,19)
InChIKeyOZQRSKOHKQTMGJ-UHFFFAOYSA-N
XLogP2.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
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
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
CID 7148291
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid (CID 60993438) is 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid is COc1ccccc1NC(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid?
The InChIKey is OZQRSKOHKQTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-20-13-5-3-2-4-12(13)16-14(15(18)19)10-6-8-11(17)9-7-10/h2-9,14,16-17H,1H3,(H,18,19).
What are the key properties of 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid?
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid has a molecular weight of 273.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid is sourced from PubChem (CID 60993438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).