3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid

C17H19NO3 — CID 103464846

IUPAC3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid
SMILESCOCC(Nc1ccccc1C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-13-8-6-7-11-15(13)18-17(12-21-2,16(19)20)14-9-4-3-5-10-14/h3-11,18H,12H2,1-2H3,(H,19,20)
InChIKeyXQUWTISGWXDRNZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.03
Rot. Bonds6

About 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid

3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid (PubChem CID 103464846) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid
PubChem CID103464846
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid
SMILESCOCC(Nc1ccccc1C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-13-8-6-7-11-15(13)18-17(12-21-2,16(19)20)14-9-4-3-5-10-14/h3-11,18H,12H2,1-2H3,(H,19,20)
InChIKeyXQUWTISGWXDRNZ-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(4-methylanilino)-2-phenylpropanoic acid
CID 103464838
2-(2-methylanilino)-2-phenylpentanamide
CID 60996445
4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
CID 60992455
2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
CID 60990825
methyl 3-methoxy-2-phenyl-2-(2,2,2-trifluoroethylamino)propanoate
CID 103464928
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232
methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
CID 103464935
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
CID 56724275
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid?
The IUPAC name of 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid (CID 103464846) is 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid?
The canonical SMILES for 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid is COCC(Nc1ccccc1C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid?
The InChIKey is XQUWTISGWXDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13-8-6-7-11-15(13)18-17(12-21-2,16(19)20)14-9-4-3-5-10-14/h3-11,18H,12H2,1-2H3,(H,19,20).
What are the key properties of 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid?
3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid is sourced from PubChem (CID 103464846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).