2-(3-amino-4-methylphenyl)butanoic acid

C11H15NO2 — CID 130134794

IUPAC2-(3-amino-4-methylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(C)c(N)c1
InChIInChI=1S/C11H15NO2/c1-3-9(11(13)14)8-5-4-7(2)10(12)6-8/h4-6,9H,3,12H2,1-2H3,(H,13,14)
InChIKeyWGOSFXWYHZOIJP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.16
Rot. Bonds3

About 2-(3-amino-4-methylphenyl)butanoic acid

2-(3-amino-4-methylphenyl)butanoic acid (PubChem CID 130134794) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-amino-4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(3-amino-4-methylphenyl)butanoic acid
PubChem CID130134794
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(3-amino-4-methylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(C)c(N)c1
InChIInChI=1S/C11H15NO2/c1-3-9(11(13)14)8-5-4-7(2)10(12)6-8/h4-6,9H,3,12H2,1-2H3,(H,13,14)
InChIKeyWGOSFXWYHZOIJP-UHFFFAOYSA-N
XLogP2.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.16
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

4-Aminophenylacetic acid
CID 14533
4-Aminohydratropic acid
CID 43026
2-(4-Aminophenyl)butanoic acid
CID 34655
2-(3-Aminophenyl)-3-mercaptopropanoic acid
CID 10214451
3-(3-Aminophenyl)propionic acid
CID 2735406
3-Biphenylacetic acid, 5-amino-
CID 53372
Butyric acid, 2-(3-amino-2,4,6-triiodophenyl)-
CID 30790
3-Amino-2,4,6-triiodo-alpha-methylbenzeneacetic acid
CID 210852
2-(4-Aminophenyl)-2-phenylacetic acid
CID 346835
2-(3-Aminophenyl)acetic acid hydrochloride
CID 45263726
(3-Aminophenyl)acetic acid
CID 571807
2-Aminophenylacetic acid
CID 583776

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylphenyl)butanoic acid?
The IUPAC name of 2-(3-amino-4-methylphenyl)butanoic acid (CID 130134794) is 2-(3-amino-4-methylphenyl)butanoic acid.
What is the SMILES notation for 2-(3-amino-4-methylphenyl)butanoic acid?
The canonical SMILES for 2-(3-amino-4-methylphenyl)butanoic acid is CCC(C(=O)O)c1ccc(C)c(N)c1.
What is the InChIKey of 2-(3-amino-4-methylphenyl)butanoic acid?
The InChIKey is WGOSFXWYHZOIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-9(11(13)14)8-5-4-7(2)10(12)6-8/h4-6,9H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-amino-4-methylphenyl)butanoic acid?
2-(3-amino-4-methylphenyl)butanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylphenyl)butanoic acid is sourced from PubChem (CID 130134794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).