3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid

C11H11NO3 — CID 79725913

IUPAC3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1ccc(C(N)=O)cc1)C(=O)O
InChIInChI=1S/C11H11NO3/c1-7(11(14)15)6-8-2-4-9(5-3-8)10(12)13/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyMKIITDLSCIIRJW-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.27
Rot. Bonds3

About 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid

3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid (PubChem CID 79725913) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid
PubChem CID79725913
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1ccc(C(N)=O)cc1)C(=O)O
InChIInChI=1S/C11H11NO3/c1-7(11(14)15)6-8-2-4-9(5-3-8)10(12)13/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyMKIITDLSCIIRJW-UHFFFAOYSA-N
XLogP1.27
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
3-(4-acetylphenyl)-2-methylprop-2-enoic acid
CID 67022362
ethyl (E)-3-(4-carbamoylphenyl)-2-methylprop-2-enoate
CID 104503414
3-(3,4-diaminophenyl)-2-methylprop-2-enoic acid
CID 69361395
3-(4-carbamoyloxyphenyl)-2-methylprop-2-enoic acid
CID 123813145
(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid
CID 6312944
4-(3-hydroxy-2-methylprop-1-enyl)benzamide
CID 79334325
(E)-3-(4-chlorophenyl)-2-methylprop-2-enoic acid;ethane
CID 156638476
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
3-(4-anilinophenyl)-2-methylprop-2-enoic acid
CID 54444662
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]-2-methylprop-2-enoic acid
CID 170873087
3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 67022405

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid (CID 79725913) is 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid is CC(=Cc1ccc(C(N)=O)cc1)C(=O)O.
What is the InChIKey of 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid?
The InChIKey is MKIITDLSCIIRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(11(14)15)6-8-2-4-9(5-3-8)10(12)13/h2-6H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid?
3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 79725913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).