(Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid

C14H12N2O4 — CID 135463449

IUPAC(Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C14H12N2O4/c17-12(14(18)19)6-11-7-13(16-9-15-11)20-8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,18,19)/b12-6-
InChIKeyZHLLNALBFMADPL-SDQBBNPISA-N
MW272.26 g/mol
LogP2.04
Rot. Bonds5

About (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid

(Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid (PubChem CID 135463449) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid
PubChem CID135463449
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C14H12N2O4/c17-12(14(18)19)6-11-7-13(16-9-15-11)20-8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,18,19)/b12-6-
InChIKeyZHLLNALBFMADPL-SDQBBNPISA-N
XLogP2.04
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid (CID 135463449) is (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid is O=C(O)/C(O)=C/c1cc(OCc2ccccc2)ncn1.
What is the InChIKey of (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid?
The InChIKey is ZHLLNALBFMADPL-SDQBBNPISA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12(14(18)19)6-11-7-13(16-9-15-11)20-8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,18,19)/b12-6-.
What are the key properties of (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid?
(Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid is sourced from PubChem (CID 135463449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).