ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate

C9H11N3O4 — CID 162686076

IUPACethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(N)=C/c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H11N3O4/c1-2-16-9(15)5(10)3-6-11-7(13)4-8(14)12-6/h3-4H,2,10H2,1H3,(H2,11,12,13,14)/b5-3-
InChIKeyOEQTYIWINQIYAY-HYXAFXHYSA-N
MW225.20 g/mol
LogP-0.66
Rot. Bonds3

About ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate

ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate (PubChem CID 162686076) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate
PubChem CID162686076
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Nameethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(N)=C/c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H11N3O4/c1-2-16-9(15)5(10)3-6-11-7(13)4-8(14)12-6/h3-4H,2,10H2,1H3,(H2,11,12,13,14)/b5-3-
InChIKeyOEQTYIWINQIYAY-HYXAFXHYSA-N
XLogP-0.66
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate 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 ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate (CID 162686076) is ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate is CCOC(=O)/C(N)=C/c1nc(O)cc(=O)[nH]1.
What is the InChIKey of ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate?
The InChIKey is OEQTYIWINQIYAY-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-16-9(15)5(10)3-6-11-7(13)4-8(14)12-6/h3-4H,2,10H2,1H3,(H2,11,12,13,14)/b5-3-.
What are the key properties of ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate?
ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate has a molecular weight of 225.20 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)prop-2-enoate is sourced from PubChem (CID 162686076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).