2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid

C17H15NO4 — CID 12818880

IUPAC2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H15NO4/c19-15-8-3-12(4-9-15)5-10-16(20)18-14-6-1-13(2-7-14)11-17(21)22/h1-10,19H,11H2,(H,18,20)(H,21,22)/b10-5+
InChIKeyRRDFZVOQYJBJDT-BJMVGYQFSA-N
MW297.31 g/mol
LogP2.67
Rot. Bonds5

About 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid

2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid (PubChem CID 12818880) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
PubChem CID12818880
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H15NO4/c19-15-8-3-12(4-9-15)5-10-16(20)18-14-6-1-13(2-7-14)11-17(21)22/h1-10,19H,11H2,(H,18,20)(H,21,22)/b10-5+
InChIKeyRRDFZVOQYJBJDT-BJMVGYQFSA-N
XLogP2.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 134154267
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
4-[4-(carboxymethyl)anilino]-4-oxobut-2-enoic acid
CID 53395773
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
2-[4-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 45346201
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891
2-[4-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]phenyl]acetic acid
CID 43242110
N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 932766
2-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43354576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid (CID 12818880) is 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid?
The InChIKey is RRDFZVOQYJBJDT-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H15NO4/c19-15-8-3-12(4-9-15)5-10-16(20)18-14-6-1-13(2-7-14)11-17(21)22/h1-10,19H,11H2,(H,18,20)(H,21,22)/b10-5+.
What are the key properties of 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid?
2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid has a molecular weight of 297.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 12818880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).