(Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid

C11H11NO3 — CID 156748611

IUPAC(Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid
SMILESC=Nc1ccc(O)cc1/C=C\CC(=O)O
InChIInChI=1S/C11H11NO3/c1-12-10-6-5-9(13)7-8(10)3-2-4-11(14)15/h2-3,5-7,13H,1,4H2,(H,14,15)/b3-2-
InChIKeySAHYNJLNEXUMEO-IHWYPQMZSA-N
MW205.21 g/mol
LogP2.21
Rot. Bonds4

About (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid

(Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid (PubChem CID 156748611) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid
PubChem CID156748611
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid
SMILESC=Nc1ccc(O)cc1/C=C\CC(=O)O
InChIInChI=1S/C11H11NO3/c1-12-10-6-5-9(13)7-8(10)3-2-4-11(14)15/h2-3,5-7,13H,1,4H2,(H,14,15)/b3-2-
InChIKeySAHYNJLNEXUMEO-IHWYPQMZSA-N
XLogP2.21
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dihydroxyphenyl)but-3-enoic acid
CID 170483156
4-(2-hydroxy-5-methylphenyl)but-3-enoic acid
CID 170483189
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
(E)-4-(2,5-difluorophenyl)but-3-enoic acid
CID 82282110
4-(3-carboxyprop-1-enyl)benzene-1,3-dicarboxylic acid
CID 170484358
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
4-[2-[(E)-2-carboxyethenyl]phenyl]but-3-enoic acid
CID 170484079
4-(2-amino-5-chlorophenyl)but-3-enoic acid
CID 91346863
2-(3-carboxyprop-1-enyl)-5-methylbenzoic acid
CID 170483830
3-amino-4-(3-carboxyprop-1-enyl)benzoic acid
CID 170483977
4-(4-amino-2-fluorophenyl)but-3-enoic acid
CID 170483256
4-(2,3,4-trifluorophenyl)but-3-enoic acid
CID 170483379

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid?
The IUPAC name of (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid (CID 156748611) is (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid.
What is the SMILES notation for (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid?
The canonical SMILES for (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid is C=Nc1ccc(O)cc1/C=C\CC(=O)O.
What is the InChIKey of (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid?
The InChIKey is SAHYNJLNEXUMEO-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-10-6-5-9(13)7-8(10)3-2-4-11(14)15/h2-3,5-7,13H,1,4H2,(H,14,15)/b3-2-.
What are the key properties of (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid?
(Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid has a molecular weight of 205.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[5-hydroxy-2-(methylideneamino)phenyl]but-3-enoic acid is sourced from PubChem (CID 156748611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).