3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid

C24H23N3O2 — CID 70210638

IUPAC3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid
SMILESNC(N)=Nc1cccc(/C=C/c2cccc(C(CC(=O)O)c3ccccc3)c2)c1
InChIInChI=1S/C24H23N3O2/c25-24(26)27-21-11-5-7-18(15-21)13-12-17-6-4-10-20(14-17)22(16-23(28)29)19-8-2-1-3-9-19/h1-15,22H,16H2,(H,28,29)(H4,25,26,27)/b13-12+
InChIKeyAJDHJTHNIMDVSC-OUKQBFOZSA-N
MW385.47 g/mol
LogP4.37
Rot. Bonds7

About 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid

3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid (PubChem CID 70210638) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid
PubChem CID70210638
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid
SMILESNC(N)=Nc1cccc(/C=C/c2cccc(C(CC(=O)O)c3ccccc3)c2)c1
InChIInChI=1S/C24H23N3O2/c25-24(26)27-21-11-5-7-18(15-21)13-12-17-6-4-10-20(14-17)22(16-23(28)29)19-8-2-1-3-9-19/h1-15,22H,16H2,(H,28,29)(H4,25,26,27)/b13-12+
InChIKeyAJDHJTHNIMDVSC-OUKQBFOZSA-N
XLogP4.37
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic 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

(3'-Amino-biphenyl-3-yl)-acetic acid
CID 1392894
4-Guanidino-phenylbutyric acid
CID 68916220
3-[3-(Diaminomethylideneamino)phenyl]-5-[4-(diaminomethylideneamino)phenyl]pentanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 88146500
3-(4-Aminophenyl)-2-[(4-aminophenyl)methyl]propanoic acid
CID 458806
(1,1'-Biphenyl)-3,3'-dipentanoic acid, 4,4'-diamino-
CID 12433957
3-[4-(3-Aminophenyl)phenyl]propanoic acid
CID 1393561
3-[3-(2-Aminophenyl)phenyl]propanoic acid
CID 1393892
4-[4-(Diaminomethylideneamino)phenyl]butanoic acid
CID 13589830
4-[4-(Diaminomethylideneamino)phenyl]butanoic acid;hydrochloride
CID 13589831
4-[(Aminoiminomethyl)amino]benzenepentanoic acid
CID 13589839
6-[4-(Diaminomethylideneamino)phenyl]hexanoic acid
CID 14218725
6-[4-(Diaminomethylideneamino)phenyl]hexanoic acid;hydrochloride
CID 14218726

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid?
The IUPAC name of 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid (CID 70210638) is 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid?
The canonical SMILES for 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid is NC(N)=Nc1cccc(/C=C/c2cccc(C(CC(=O)O)c3ccccc3)c2)c1.
What is the InChIKey of 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid?
The InChIKey is AJDHJTHNIMDVSC-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H23N3O2/c25-24(26)27-21-11-5-7-18(15-21)13-12-17-6-4-10-20(14-17)22(16-23(28)29)19-8-2-1-3-9-19/h1-15,22H,16H2,(H,28,29)(H4,25,26,27)/b13-12+.
What are the key properties of 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid?
3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid has a molecular weight of 385.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-2-[3-(diaminomethylideneamino)phenyl]ethenyl]phenyl]-3-phenylpropanoic acid is sourced from PubChem (CID 70210638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).