(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid

C15H13NO2 — CID 102461525

IUPAC(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
SMILESNc1cccc(/C=C(/C(=O)O)c2ccccc2)c1
InChIInChI=1S/C15H13NO2/c16-13-8-4-5-11(9-13)10-14(15(17)18)12-6-2-1-3-7-12/h1-10H,16H2,(H,17,18)/b14-10+
InChIKeyGGCMUKZIQKXCAX-GXDHUFHOSA-N
MW239.27 g/mol
LogP2.89
Rot. Bonds3

About (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid

(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid (PubChem CID 102461525) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
PubChem CID102461525
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
SMILESNc1cccc(/C=C(/C(=O)O)c2ccccc2)c1
InChIInChI=1S/C15H13NO2/c16-13-8-4-5-11(9-13)10-14(15(17)18)12-6-2-1-3-7-12/h1-10H,16H2,(H,17,18)/b14-10+
InChIKeyGGCMUKZIQKXCAX-GXDHUFHOSA-N
XLogP2.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-ethoxycarbonylphenyl)-2-phenylprop-2-enoic acid
CID 70571003
3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002
(E)-3-(3-aminophenyl)-2-methylprop-2-enoic acid
CID 15103268
(Z)-3-(3-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239542
(Z)-3-(3-fluorophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83952444
(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid
CID 95564600
3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
CID 76914513
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one
CID 141027031
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid (CID 102461525) is (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid is Nc1cccc(/C=C(/C(=O)O)c2ccccc2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid?
The InChIKey is GGCMUKZIQKXCAX-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H13NO2/c16-13-8-4-5-11(9-13)10-14(15(17)18)12-6-2-1-3-7-12/h1-10H,16H2,(H,17,18)/b14-10+.
What are the key properties of (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid?
(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid has a molecular weight of 239.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 102461525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).