2-(4-aminophenyl)acetic acid;propanoic acid

C11H15NO4 — CID 175478961

IUPAC2-(4-aminophenyl)acetic acid;propanoic acid
SMILESCCC(=O)O.Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C8H9NO2.C3H6O2/c9-7-3-1-6(2-4-7)5-8(10)11;1-2-3(4)5/h1-4H,5,9H2,(H,10,11);2H2,1H3,(H,4,5)
InChIKeyZYQXNOCGUVZSDC-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.38
Rot. Bonds3

About 2-(4-aminophenyl)acetic acid;propanoic acid

2-(4-aminophenyl)acetic acid;propanoic acid (PubChem CID 175478961) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(4-aminophenyl)acetic acid;propanoic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)acetic acid;propanoic acid
PubChem CID175478961
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(4-aminophenyl)acetic acid;propanoic acid
SMILESCCC(=O)O.Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C8H9NO2.C3H6O2/c9-7-3-1-6(2-4-7)5-8(10)11;1-2-3(4)5/h1-4H,5,9H2,(H,10,11);2H2,1H3,(H,4,5)
InChIKeyZYQXNOCGUVZSDC-UHFFFAOYSA-N
XLogP1.38
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)acetic acid;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
ethane;4-methylaniline;propanoic acid
CID 143544103
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
2-(4-aminophenyl)acetyl chloride;ethane
CID 143474750
ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid
CID 159098387
2-[4-(ethylsulfonylmethyl)phenyl]acetic acid
CID 105345558
2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid
CID 45116515
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
1-(4-aminophenyl)-3-ethoxypropan-2-one
CID 116549423
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)acetic acid;propanoic acid?
The IUPAC name of 2-(4-aminophenyl)acetic acid;propanoic acid (CID 175478961) is 2-(4-aminophenyl)acetic acid;propanoic acid.
What is the SMILES notation for 2-(4-aminophenyl)acetic acid;propanoic acid?
The canonical SMILES for 2-(4-aminophenyl)acetic acid;propanoic acid is CCC(=O)O.Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-aminophenyl)acetic acid;propanoic acid?
The InChIKey is ZYQXNOCGUVZSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C3H6O2/c9-7-3-1-6(2-4-7)5-8(10)11;1-2-3(4)5/h1-4H,5,9H2,(H,10,11);2H2,1H3,(H,4,5).
What are the key properties of 2-(4-aminophenyl)acetic acid;propanoic acid?
2-(4-aminophenyl)acetic acid;propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)acetic acid;propanoic acid is sourced from PubChem (CID 175478961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).