(Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid

C10H9NO4 — CID 170873745

IUPAC(Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESNC(=O)/C(=C/c1ccccc1O)C(=O)O
InChIInChI=1S/C10H9NO4/c11-9(13)7(10(14)15)5-6-3-1-2-4-8(6)12/h1-5,12H,(H2,11,13)(H,14,15)/b7-5-
InChIKeyOZAVHIMRNADTNA-ALCCZGGFSA-N
MW207.19 g/mol
LogP0.35
Rot. Bonds3

About (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid

(Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid (PubChem CID 170873745) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid
PubChem CID170873745
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESNC(=O)/C(=C/c1ccccc1O)C(=O)O
InChIInChI=1S/C10H9NO4/c11-9(13)7(10(14)15)5-6-3-1-2-4-8(6)12/h1-5,12H,(H2,11,13)(H,14,15)/b7-5-
InChIKeyOZAVHIMRNADTNA-ALCCZGGFSA-N
XLogP0.35
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (Z)-2-carbamoyl-3-(2-hydroxyphenyl)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

Related Compounds

silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate
CID 135951807
2-[(2,4-dihydroxyphenyl)methylidene]propanedioic acid
CID 45093805
2-[(2-chlorophenyl)methylidene]-3-oxobutanamide
CID 3496380
2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5053670
[(E)-(2-hydroxyphenyl)methylideneamino] benzoate
CID 135684142
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
oxamide;phenol
CID 21277500
CID 158421076
CID 158421076
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
CID 102322322
2-hydroxybenzaldehyde;methanamine
CID 174602056
aniline;2-hydroxybenzaldehyde
CID 159847329
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503

Frequently Asked Questions

What is the IUPAC name of (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid (CID 170873745) is (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid is NC(=O)/C(=C/c1ccccc1O)C(=O)O.
What is the InChIKey of (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is OZAVHIMRNADTNA-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H9NO4/c11-9(13)7(10(14)15)5-6-3-1-2-4-8(6)12/h1-5,12H,(H2,11,13)(H,14,15)/b7-5-.
What are the key properties of (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid?
(Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 207.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-carbamoyl-3-(2-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 170873745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).