3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid

C14H15NO3 — CID 76943368

IUPAC3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(C(=O)NC2CCC2)cc1
InChIInChI=1S/C14H15NO3/c16-13(17)9-6-10-4-7-11(8-5-10)14(18)15-12-2-1-3-12/h4-9,12H,1-3H2,(H,15,18)(H,16,17)
InChIKeySQRNHMGZVOBAMF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.07
Rot. Bonds4

About 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid

3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid (PubChem CID 76943368) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid
PubChem CID76943368
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(C(=O)NC2CCC2)cc1
InChIInChI=1S/C14H15NO3/c16-13(17)9-6-10-4-7-11(8-5-10)14(18)15-12-2-1-3-12/h4-9,12H,1-3H2,(H,15,18)(H,16,17)
InChIKeySQRNHMGZVOBAMF-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.07
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

4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
3-[4-[(2,2-dimethylcyclopentyl)carbamoyl]phenyl]prop-2-enoic acid
CID 79870096
(E)-3-[3-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid
CID 94231046
(E)-3-[4-[(cyclobutylcarbamoylamino)methyl]phenyl]prop-2-enoic acid
CID 116658869
N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide
CID 59811420
3-[4-(cyclopentylcarbamoyl)-2-fluorophenyl]prop-2-enoic acid
CID 76913934
N-cyclopropyl-4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 31829368
3-[4-(cyclobutylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79692105
N-cyclobutyl-4-methylbenzamide
CID 23530676
ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 169480970
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide
CID 39997247
3-[5-(cyclopropylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 54974848

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid (CID 76943368) is 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(C(=O)NC2CCC2)cc1.
What is the InChIKey of 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid?
The InChIKey is SQRNHMGZVOBAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(17)9-6-10-4-7-11(8-5-10)14(18)15-12-2-1-3-12/h4-9,12H,1-3H2,(H,15,18)(H,16,17).
What are the key properties of 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid?
3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 76943368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).