3-(2-amino-5-methylphenyl)propanoic acid

C10H13NO2 — CID 83852984

IUPAC3-(2-amino-5-methylphenyl)propanoic acid
SMILESCc1ccc(N)c(CCC(=O)O)c1
InChIInChI=1S/C10H13NO2/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2,4,6H,3,5,11H2,1H3,(H,12,13)
InChIKeyXJHPOJOJFJMISS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.59
Rot. Bonds3

About 3-(2-amino-5-methylphenyl)propanoic acid

3-(2-amino-5-methylphenyl)propanoic acid (PubChem CID 83852984) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-5-methylphenyl)propanoic acid
PubChem CID83852984
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(2-amino-5-methylphenyl)propanoic acid
SMILESCc1ccc(N)c(CCC(=O)O)c1
InChIInChI=1S/C10H13NO2/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2,4,6H,3,5,11H2,1H3,(H,12,13)
InChIKeyXJHPOJOJFJMISS-UHFFFAOYSA-N
XLogP1.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
4-methyl-2-(3-phosphanylidenebutyl)aniline
CID 90836095
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
3-[5-methyl-2-(methylamino)phenyl]propanoic acid
CID 20546910
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434
2-(3-ethylpent-3-enyl)-4-methylaniline
CID 91048575
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
4-methyl-2-(3-phenylpropyl)aniline
CID 67787992
3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
CID 19077125

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methylphenyl)propanoic acid?
The IUPAC name of 3-(2-amino-5-methylphenyl)propanoic acid (CID 83852984) is 3-(2-amino-5-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-amino-5-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2-amino-5-methylphenyl)propanoic acid is Cc1ccc(N)c(CCC(=O)O)c1.
What is the InChIKey of 3-(2-amino-5-methylphenyl)propanoic acid?
The InChIKey is XJHPOJOJFJMISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2,4,6H,3,5,11H2,1H3,(H,12,13).
What are the key properties of 3-(2-amino-5-methylphenyl)propanoic acid?
3-(2-amino-5-methylphenyl)propanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenyl)propanoic acid is sourced from PubChem (CID 83852984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).