2-(3-aminophenyl)acetic acid;propanoic acid

C11H15NO4 — CID 175479045

IUPAC2-(3-aminophenyl)acetic acid;propanoic acid
SMILESCCC(=O)O.Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C8H9NO2.C3H6O2/c9-7-3-1-2-6(4-7)5-8(10)11;1-2-3(4)5/h1-4H,5,9H2,(H,10,11);2H2,1H3,(H,4,5)
InChIKeyMSNTVVQDUVOLRF-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.38
Rot. Bonds3

About 2-(3-aminophenyl)acetic acid;propanoic acid

2-(3-aminophenyl)acetic acid;propanoic acid (PubChem CID 175479045) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(3-aminophenyl)acetic acid;propanoic acid.

Molecular Properties

Compound Name2-(3-aminophenyl)acetic acid;propanoic acid
PubChem CID175479045
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(3-aminophenyl)acetic acid;propanoic acid
SMILESCCC(=O)O.Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C8H9NO2.C3H6O2/c9-7-3-1-2-6(4-7)5-8(10)11;1-2-3(4)5/h1-4H,5,9H2,(H,10,11);2H2,1H3,(H,4,5)
InChIKeyMSNTVVQDUVOLRF-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': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-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;2-phenylacetamide
CID 157497347
2-(3-aminophenyl)acetic acid;ethyl 4-aminobenzoate
CID 70629829
S-ethyl 2-(3-aminophenyl)ethanethioate
CID 21201588
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
1-(3-aminophenyl)-4-ethylhexan-2-one
CID 116577226
2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone
CID 116577277
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid
CID 81073117
3-[[2-(3-aminophenyl)acetyl]-tert-butylamino]propanoic acid
CID 65349923
4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 65350447

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)acetic acid;propanoic acid?
The IUPAC name of 2-(3-aminophenyl)acetic acid;propanoic acid (CID 175479045) is 2-(3-aminophenyl)acetic acid;propanoic acid.
What is the SMILES notation for 2-(3-aminophenyl)acetic acid;propanoic acid?
The canonical SMILES for 2-(3-aminophenyl)acetic acid;propanoic acid is CCC(=O)O.Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-(3-aminophenyl)acetic acid;propanoic acid?
The InChIKey is MSNTVVQDUVOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C3H6O2/c9-7-3-1-2-6(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-(3-aminophenyl)acetic acid;propanoic acid?
2-(3-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-(3-aminophenyl)acetic acid;propanoic acid is sourced from PubChem (CID 175479045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).