2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid

C17H15NO3 — CID 102299581

IUPAC2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid
SMILESO=C(O)CN/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO3/c19-16(14-9-5-2-6-10-14)11-15(18-12-17(20)21)13-7-3-1-4-8-13/h1-11,18H,12H2,(H,20,21)/b15-11-
InChIKeyVIHJZKAFKAAWPE-PTNGSMBKSA-N
MW281.31 g/mol
LogP2.58
Rot. Bonds6

About 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid

2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid (PubChem CID 102299581) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid
PubChem CID102299581
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid
SMILESO=C(O)CN/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO3/c19-16(14-9-5-2-6-10-14)11-15(18-12-17(20)21)13-7-3-1-4-8-13/h1-11,18H,12H2,(H,20,21)/b15-11-
InChIKeyVIHJZKAFKAAWPE-PTNGSMBKSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one
CID 146162492
(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 54579039
2-benzamidoacetic acid;hydrofluoride
CID 174760685
(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
CID 51356633
(E)-3-(2-bromoanilino)-1,3-diphenylprop-2-en-1-one
CID 15112394
(2S)-3-methyl-2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]butanoic acid
CID 102299586
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one
CID 6186115
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
4-[(Z)-3-[(4-aminophenyl)methylamino]-3-phenylprop-2-enoyl]benzonitrile
CID 155819053
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
2-benzamidoacetic acid;prop-2-enamide
CID 175727656

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid (CID 102299581) is 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid is O=C(O)CN/C(=C\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid?
The InChIKey is VIHJZKAFKAAWPE-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(14-9-5-2-6-10-14)11-15(18-12-17(20)21)13-7-3-1-4-8-13/h1-11,18H,12H2,(H,20,21)/b15-11-.
What are the key properties of 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid?
2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid is sourced from PubChem (CID 102299581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).