(Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid

C11H8N4O4 — CID 56589591

IUPAC(Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid
SMILESO=C(O)C(=O)/C=C(\O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H8N4O4/c16-8(5-9(17)11(18)19)6-2-1-3-7(4-6)10-12-14-15-13-10/h1-5,16H,(H,18,19)(H,12,13,14,15)/b8-5-
InChIKeyLEBNSYJBQBNXHV-YVMONPNESA-N
MW260.21 g/mol
LogP0.42
Rot. Bonds4

About (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid

(Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid (PubChem CID 56589591) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid
PubChem CID56589591
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name(Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid
SMILESO=C(O)C(=O)/C=C(\O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H8N4O4/c16-8(5-9(17)11(18)19)6-2-1-3-7(4-6)10-12-14-15-13-10/h1-5,16H,(H,18,19)(H,12,13,14,15)/b8-5-
InChIKeyLEBNSYJBQBNXHV-YVMONPNESA-N
XLogP0.42
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid?
The IUPAC name of (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid (CID 56589591) is (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid.
What is the SMILES notation for (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid?
The canonical SMILES for (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid is O=C(O)C(=O)/C=C(\O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid?
The InChIKey is LEBNSYJBQBNXHV-YVMONPNESA-N. The full InChI is InChI=1S/C11H8N4O4/c16-8(5-9(17)11(18)19)6-2-1-3-7(4-6)10-12-14-15-13-10/h1-5,16H,(H,18,19)(H,12,13,14,15)/b8-5-.
What are the key properties of (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid?
(Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid has a molecular weight of 260.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-2-oxo-4-[3-(2H-tetrazol-5-yl)phenyl]but-3-enoic acid is sourced from PubChem (CID 56589591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).