3-[5-methyl-2-(methylamino)phenyl]propanoic acid

C11H15NO2 — CID 20546910

IUPAC3-[5-methyl-2-(methylamino)phenyl]propanoic acid
SMILESCNc1ccc(C)cc1CCC(=O)O
InChIInChI=1S/C11H15NO2/c1-8-3-5-10(12-2)9(7-8)4-6-11(13)14/h3,5,7,12H,4,6H2,1-2H3,(H,13,14)
InChIKeyUXWRIBOASCDNPS-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.05
Rot. Bonds4

About 3-[5-methyl-2-(methylamino)phenyl]propanoic acid

3-[5-methyl-2-(methylamino)phenyl]propanoic acid (PubChem CID 20546910) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[5-methyl-2-(methylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[5-methyl-2-(methylamino)phenyl]propanoic acid
PubChem CID20546910
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[5-methyl-2-(methylamino)phenyl]propanoic acid
SMILESCNc1ccc(C)cc1CCC(=O)O
InChIInChI=1S/C11H15NO2/c1-8-3-5-10(12-2)9(7-8)4-6-11(13)14/h3,5,7,12H,4,6H2,1-2H3,(H,13,14)
InChIKeyUXWRIBOASCDNPS-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-[2-(3-bromoanilino)-5-methylphenyl]propanoic acid
CID 84609790
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434
4-[5-methoxy-2-(methylamino)phenyl]butanoic acid
CID 54536121
2-(aminomethyl)-N,4-dimethylaniline
CID 82502533
2-(2-butyl-4-methylanilino)acetic acid
CID 54469152
1-methyl-3-(4-methyl-2-propylphenyl)urea
CID 151994223
3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid
CID 166657511
3-(6-methyl-1-benzothiophen-3-yl)propanoic acid
CID 57310358

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(methylamino)phenyl]propanoic acid?
The IUPAC name of 3-[5-methyl-2-(methylamino)phenyl]propanoic acid (CID 20546910) is 3-[5-methyl-2-(methylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[5-methyl-2-(methylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[5-methyl-2-(methylamino)phenyl]propanoic acid is CNc1ccc(C)cc1CCC(=O)O.
What is the InChIKey of 3-[5-methyl-2-(methylamino)phenyl]propanoic acid?
The InChIKey is UXWRIBOASCDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-3-5-10(12-2)9(7-8)4-6-11(13)14/h3,5,7,12H,4,6H2,1-2H3,(H,13,14).
What are the key properties of 3-[5-methyl-2-(methylamino)phenyl]propanoic acid?
3-[5-methyl-2-(methylamino)phenyl]propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(methylamino)phenyl]propanoic acid is sourced from PubChem (CID 20546910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).