3-(4-anilinoanilino)propanoic acid

C15H16N2O2 — CID 54336200

IUPAC3-(4-anilinoanilino)propanoic acid
SMILESO=C(O)CCNc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c18-15(19)10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9,16-17H,10-11H2,(H,18,19)
InChIKeyTVQNDYUELRUOKE-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.32
Rot. Bonds6

About 3-(4-anilinoanilino)propanoic acid

3-(4-anilinoanilino)propanoic acid (PubChem CID 54336200) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(4-anilinoanilino)propanoic acid.

Molecular Properties

Compound Name3-(4-anilinoanilino)propanoic acid
PubChem CID54336200
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(4-anilinoanilino)propanoic acid
SMILESO=C(O)CCNc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c18-15(19)10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9,16-17H,10-11H2,(H,18,19)
InChIKeyTVQNDYUELRUOKE-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-anilinoanilino)propanoic acid?
The IUPAC name of 3-(4-anilinoanilino)propanoic acid (CID 54336200) is 3-(4-anilinoanilino)propanoic acid.
What is the SMILES notation for 3-(4-anilinoanilino)propanoic acid?
The canonical SMILES for 3-(4-anilinoanilino)propanoic acid is O=C(O)CCNc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 3-(4-anilinoanilino)propanoic acid?
The InChIKey is TVQNDYUELRUOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9,16-17H,10-11H2,(H,18,19).
What are the key properties of 3-(4-anilinoanilino)propanoic acid?
3-(4-anilinoanilino)propanoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinoanilino)propanoic acid is sourced from PubChem (CID 54336200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).