(Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid

C19H19NO4 — CID 70694869

IUPAC(Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid
SMILESO=C(/C=C(\O)C(=O)O)NCCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H19NO4/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)15-8-2-1-3-9-15/h1-4,6,8-10,12-13,21H,5,7,11H2,(H,20,22)(H,23,24)/b17-13-
InChIKeyYDROAFIKLXSCDX-LGMDPLHJSA-N
MW325.36 g/mol
LogP2.93
Rot. Bonds7

About (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid

(Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid (PubChem CID 70694869) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid
PubChem CID70694869
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid
SMILESO=C(/C=C(\O)C(=O)O)NCCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H19NO4/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)15-8-2-1-3-9-15/h1-4,6,8-10,12-13,21H,5,7,11H2,(H,20,22)(H,23,24)/b17-13-
InChIKeyYDROAFIKLXSCDX-LGMDPLHJSA-N
XLogP2.93
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxo-4-[3-(3-phenylphenyl)propylamino]butanoic acid
CID 91929757
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
N-[3-(3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516624
N-chloro-2-(3-phenylphenyl)ethanamine
CID 88912569
benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate
CID 67456713
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
3-(3-phenylphenyl)propan-1-amine
CID 68886504
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
CID 138678237

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid (CID 70694869) is (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid is O=C(/C=C(\O)C(=O)O)NCCCc1cccc(-c2ccccc2)c1.
What is the InChIKey of (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid?
The InChIKey is YDROAFIKLXSCDX-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H19NO4/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)15-8-2-1-3-9-15/h1-4,6,8-10,12-13,21H,5,7,11H2,(H,20,22)(H,23,24)/b17-13-.
What are the key properties of (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid?
(Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid has a molecular weight of 325.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-4-oxo-4-[3-(3-phenylphenyl)propylamino]but-2-enoic acid is sourced from PubChem (CID 70694869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).