2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid

C10H9NO5 — CID 87495750

IUPAC2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1)C(=O)N(O)O
InChIInChI=1S/C10H9NO5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-6,15-16H,(H,13,14)
InChIKeyUDDMLEHXYYPCNI-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.76
Rot. Bonds3

About 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid

2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid (PubChem CID 87495750) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid
PubChem CID87495750
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1)C(=O)N(O)O
InChIInChI=1S/C10H9NO5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-6,15-16H,(H,13,14)
InChIKeyUDDMLEHXYYPCNI-UHFFFAOYSA-N
XLogP0.76
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dihydroxycarbamoyl)-3-phenylprop-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

2-carboxy-3-phenylprop-2-enoate
CID 5248661
2-benzylidene-3-methoxycarbonyl-4-phenylbut-3-enoic acid
CID 4736767
2-hydroxy-3-phenylprop-2-enoic acid;methane
CID 66953163
germane;2-hydroxy-3-phenylprop-2-enoic acid
CID 174439173
2-(cyclopentanecarbonyl)-3-phenylprop-2-enoic acid
CID 144576861
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
(E)-3-benzoyl-2-oxo-4-phenylbut-3-enoic acid
CID 9467692
(2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide
CID 2185858
2-[(4-hydroxyphenyl)methylidene]propanedioic acid
CID 519420
(Z)-3-phenyl-2-sulfanylprop-2-enoic acid
CID 5396334
(Z,2Z)-2-benzylidene-4-phenyl-3-phenylmethoxycarbonylbut-3-enoic acid
CID 6916903
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631

Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid?
The IUPAC name of 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid (CID 87495750) is 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid.
What is the SMILES notation for 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid?
The canonical SMILES for 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid is O=C(O)C(=Cc1ccccc1)C(=O)N(O)O.
What is the InChIKey of 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid?
The InChIKey is UDDMLEHXYYPCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-6,15-16H,(H,13,14).
What are the key properties of 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid?
2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid has a molecular weight of 223.18 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid is sourced from PubChem (CID 87495750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).