2-anilino-2-(4-methylphenyl)propanoic acid

C16H17NO2 — CID 60992300

IUPAC2-anilino-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(C)(Nc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-12-8-10-13(11-9-12)16(2,15(18)19)17-14-6-4-3-5-7-14/h3-11,17H,1-2H3,(H,18,19)
InChIKeyMUYAOBOFPSFJQX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.41
Rot. Bonds4

About 2-anilino-2-(4-methylphenyl)propanoic acid

2-anilino-2-(4-methylphenyl)propanoic acid (PubChem CID 60992300) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-anilino-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-anilino-2-(4-methylphenyl)propanoic acid
PubChem CID60992300
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-anilino-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(C)(Nc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-12-8-10-13(11-9-12)16(2,15(18)19)17-14-6-4-3-5-7-14/h3-11,17H,1-2H3,(H,18,19)
InChIKeyMUYAOBOFPSFJQX-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
CID 60991842
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate
CID 60991506
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide
CID 50974721
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
CID 114992666
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoate
CID 60992217

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-anilino-2-(4-methylphenyl)propanoic acid (CID 60992300) is 2-anilino-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-anilino-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-anilino-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(C)(Nc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-anilino-2-(4-methylphenyl)propanoic acid?
The InChIKey is MUYAOBOFPSFJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-8-10-13(11-9-12)16(2,15(18)19)17-14-6-4-3-5-7-14/h3-11,17H,1-2H3,(H,18,19).
What are the key properties of 2-anilino-2-(4-methylphenyl)propanoic acid?
2-anilino-2-(4-methylphenyl)propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 60992300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).