6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

C15H13NO6-2 — CID 54704486

IUPAC6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESO=C(O)c1ccc(NC(=O)C2CC=CCC2C(=O)[O-])cc1[O-]
InChIInChI=1S/C15H15NO6/c17-12-7-8(5-6-11(12)15(21)22)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10,17H,3-4H2,(H,16,18)(H,19,20)(H,21,22)/p-2
InChIKeyARAOHCKDOBBGLE-UHFFFAOYSA-L
MW303.27 g/mol
LogP-0.27
Rot. Bonds4

About 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate (PubChem CID 54704486) has the molecular formula C15H13NO6-2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
PubChem CID54704486
Molecular FormulaC15H13NO6-2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESO=C(O)c1ccc(NC(=O)C2CC=CCC2C(=O)[O-])cc1[O-]
InChIInChI=1S/C15H15NO6/c17-12-7-8(5-6-11(12)15(21)22)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10,17H,3-4H2,(H,16,18)(H,19,20)(H,21,22)/p-2
InChIKeyARAOHCKDOBBGLE-UHFFFAOYSA-L
XLogP-0.27
TPSA129.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate 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

(1S,6R)-6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7127036
(1R,6R)-6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7127034
(1S,6R)-6-[(4-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6951024
3-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]benzoate
CID 6941557
6-[(3-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4745378
(1R,6R)-6-[(3-hydroxy-4-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 8893564
4-[[6-[(4-carboxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 18873811
bis(5-acetamido-2-carboxyphenolate);lead(2+)
CID 88836547
(1S,6R)-6-[[4-(3,5-dimethylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7298117
(1R,6R)-6-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6958162
(1R,6S)-6-[[3-methyl-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6980110
(1R,6R)-6-[(3,5-dimethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6986777

Frequently Asked Questions

What is the IUPAC name of 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate (CID 54704486) is 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is O=C(O)c1ccc(NC(=O)C2CC=CCC2C(=O)[O-])cc1[O-].
What is the InChIKey of 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The InChIKey is ARAOHCKDOBBGLE-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H15NO6/c17-12-7-8(5-6-11(12)15(21)22)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10,17H,3-4H2,(H,16,18)(H,19,20)(H,21,22)/p-2.
What are the key properties of 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate has a molecular weight of 303.27 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 54704486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).