3-(3-amino-4-methylphenyl)propanoic acid

C10H13NO2 — CID 46948732

IUPAC3-(3-amino-4-methylphenyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)cc1N
InChIInChI=1S/C10H13NO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyQRYFHUKLDWGOPW-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.59
Rot. Bonds3

About 3-(3-amino-4-methylphenyl)propanoic acid

3-(3-amino-4-methylphenyl)propanoic acid (PubChem CID 46948732) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(3-amino-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-amino-4-methylphenyl)propanoic acid
PubChem CID46948732
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(3-amino-4-methylphenyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)cc1N
InChIInChI=1S/C10H13NO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyQRYFHUKLDWGOPW-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-(3-amino-4-ethoxycarbonylphenyl)propanoic acid
CID 134645166
tert-butyl 3-(3-amino-4-methylphenyl)propanoate
CID 146019725
3-(3-ethoxycarbonyl-4-methylphenyl)propanoic acid
CID 134633483
3-(4-amino-3-iodophenyl)propanoic acid
CID 11369803
5-(2-aminoethyl)-2-methylaniline
CID 58409288
(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
CID 55297813
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-[3-[(E)-2-carboxyethenyl]-4-methylphenyl]propanoic acid
CID 134628608
3-[4-[(E)-N'-hydroxycarbamimidoyl]-3-methylphenyl]propanoic acid
CID 87229715
4-(4-methyl-3-methylsulfanylphenyl)butanoic acid
CID 117322469
3-(3-methyl-4-nitrophenyl)propanoic acid
CID 19974538
3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 82514269

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-amino-4-methylphenyl)propanoic acid (CID 46948732) is 3-(3-amino-4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-amino-4-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-amino-4-methylphenyl)propanoic acid is Cc1ccc(CCC(=O)O)cc1N.
What is the InChIKey of 3-(3-amino-4-methylphenyl)propanoic acid?
The InChIKey is QRYFHUKLDWGOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 3-(3-amino-4-methylphenyl)propanoic acid?
3-(3-amino-4-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-(3-amino-4-methylphenyl)propanoic acid is sourced from PubChem (CID 46948732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).