2-[3-(2,5-diaminophenyl)phenyl]propanoic acid

C15H16N2O2 — CID 70164461

IUPAC2-[3-(2,5-diaminophenyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2cc(N)ccc2N)c1
InChIInChI=1S/C15H16N2O2/c1-9(15(18)19)10-3-2-4-11(7-10)13-8-12(16)5-6-14(13)17/h2-9H,16-17H2,1H3,(H,18,19)
InChIKeyXSBJQRURXGZPLW-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.71
Rot. Bonds3

About 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid

2-[3-(2,5-diaminophenyl)phenyl]propanoic acid (PubChem CID 70164461) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(2,5-diaminophenyl)phenyl]propanoic acid
PubChem CID70164461
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-[3-(2,5-diaminophenyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2cc(N)ccc2N)c1
InChIInChI=1S/C15H16N2O2/c1-9(15(18)19)10-3-2-4-11(7-10)13-8-12(16)5-6-14(13)17/h2-9H,16-17H2,1H3,(H,18,19)
InChIKeyXSBJQRURXGZPLW-UHFFFAOYSA-N
XLogP2.71
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2,5-diaminophenyl)phenyl]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-(3-chloro-2-fluorophenyl)phenyl]propanoic acid
CID 176514361
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
2-[3-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 176514359
2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid
CID 176514362
4-methyl-3-(3-propan-2-ylphenyl)aniline
CID 175665580
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
2-(4-amino-3-sulfanylphenyl)propanoic acid
CID 12894510
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
2-(4-methyl-3-phenylphenyl)propanoic acid
CID 117353578
2-(3-aminophenyl)propanoate
CID 71650577
2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
CID 67709050

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid (CID 70164461) is 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid is CC(C(=O)O)c1cccc(-c2cc(N)ccc2N)c1.
What is the InChIKey of 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid?
The InChIKey is XSBJQRURXGZPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9(15(18)19)10-3-2-4-11(7-10)13-8-12(16)5-6-14(13)17/h2-9H,16-17H2,1H3,(H,18,19).
What are the key properties of 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid?
2-[3-(2,5-diaminophenyl)phenyl]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-diaminophenyl)phenyl]propanoic acid is sourced from PubChem (CID 70164461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).