3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid

C11H12N2O4 — CID 175278897

IUPAC3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid
SMILESCC(=CNC(=O)Nc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H12N2O4/c1-7(10(15)16)6-12-11(17)13-8-2-4-9(14)5-3-8/h2-6,14H,1H3,(H,15,16)(H2,12,13,17)
InChIKeyPGHQVNOSWJNIDW-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.50
Rot. Bonds3

About 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid

3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid (PubChem CID 175278897) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid
PubChem CID175278897
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid
SMILESCC(=CNC(=O)Nc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H12N2O4/c1-7(10(15)16)6-12-11(17)13-8-2-4-9(14)5-3-8/h2-6,14H,1H3,(H,15,16)(H2,12,13,17)
InChIKeyPGHQVNOSWJNIDW-UHFFFAOYSA-N
XLogP1.50
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 69304461
N-(4-hydroxyphenyl)acetamide;dihydrate
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N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
2-[4-(2-methylprop-1-enylcarbamoylamino)phenyl]acetic acid
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bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903472
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
4-[[(Z)-but-2-en-2-yl]amino]phenol
CID 143786933
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid (CID 175278897) is 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid is CC(=CNC(=O)Nc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid?
The InChIKey is PGHQVNOSWJNIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-7(10(15)16)6-12-11(17)13-8-2-4-9(14)5-3-8/h2-6,14H,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid?
3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid has a molecular weight of 236.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid is sourced from PubChem (CID 175278897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).