2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid

C15H15NO3 — CID 20993991

IUPAC2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid
SMILESCN(c1ccc(O)cc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO3/c1-16(12-7-9-13(17)10-8-12)14(15(18)19)11-5-3-2-4-6-11/h2-10,14,17H,1H3,(H,18,19)
InChIKeyQIWSXZDFVQRRKV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.65
Rot. Bonds4

About 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid

2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid (PubChem CID 20993991) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid
PubChem CID20993991
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid
SMILESCN(c1ccc(O)cc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO3/c1-16(12-7-9-13(17)10-8-12)14(15(18)19)11-5-3-2-4-6-11/h2-10,14,17H,1H3,(H,18,19)
InChIKeyQIWSXZDFVQRRKV-UHFFFAOYSA-N
XLogP2.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 93297353
2-(N-methylanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 84747006
2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide
CID 82110850
2-[[(2S)-2-aminopropanoyl]-methylamino]-2-(4-hydroxyphenyl)acetic acid
CID 22818402
3-amino-N-(4-hydroxyphenyl)-N,2-dimethyl-3-phenylpropanamide
CID 107734254
2-(N-bromoanilino)-2-phenylacetic acid
CID 102137930
3-[[carboxy-(4-hydroxyphenyl)methyl]-methylamino]propanoic acid
CID 84750142
2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748784
2-(N-methylanilino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130020
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid?
The IUPAC name of 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid (CID 20993991) is 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid is CN(c1ccc(O)cc1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid?
The InChIKey is QIWSXZDFVQRRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-16(12-7-9-13(17)10-8-12)14(15(18)19)11-5-3-2-4-6-11/h2-10,14,17H,1H3,(H,18,19).
What are the key properties of 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid?
2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid is sourced from PubChem (CID 20993991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).