2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid

C15H17NO3 — CID 24700813

IUPAC2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C15H17NO3/c17-14(18)10-11-6-8-13(9-7-11)16-15(19)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H,16,19)(H,17,18)
InChIKeyUZDZIYMQBUURNY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid

2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid (PubChem CID 24700813) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
PubChem CID24700813
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C15H17NO3/c17-14(18)10-11-6-8-13(9-7-11)16-15(19)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H,16,19)(H,17,18)
InChIKeyUZDZIYMQBUURNY-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 120541217
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide
CID 111432990
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80549745
(E)-3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]prop-2-enoic acid
CID 45387395
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid (CID 24700813) is 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)C2CC=CCC2)cc1.
What is the InChIKey of 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid?
The InChIKey is UZDZIYMQBUURNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(18)10-11-6-8-13(9-7-11)16-15(19)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H,16,19)(H,17,18).
What are the key properties of 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid?
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 24700813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).