2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid

C16H17NO5 — CID 2812907

IUPAC2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid
SMILESCOC(=O)c1ccccc1NC(=O)C1=CCCCC1C(=O)O
InChIInChI=1S/C16H17NO5/c1-22-16(21)12-8-4-5-9-13(12)17-14(18)10-6-2-3-7-11(10)15(19)20/h4-6,8-9,11H,2-3,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyMHLGKUTVQNJSMK-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.22
Rot. Bonds4

About 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid

2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid (PubChem CID 2812907) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid
PubChem CID2812907
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid
SMILESCOC(=O)c1ccccc1NC(=O)C1=CCCCC1C(=O)O
InChIInChI=1S/C16H17NO5/c1-22-16(21)12-8-4-5-9-13(12)17-14(18)10-6-2-3-7-11(10)15(19)20/h4-6,8-9,11H,2-3,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyMHLGKUTVQNJSMK-UHFFFAOYSA-N
XLogP2.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate
CID 11139812
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
(1S,2R,3S,4S)-3-[(2-methoxycarbonylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124581474
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]benzoate
CID 63563667
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
methyl 2-[[4-(1-bromoethyl)benzoyl]amino]benzoate
CID 21244031

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid (CID 2812907) is 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid is COC(=O)c1ccccc1NC(=O)C1=CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid?
The InChIKey is MHLGKUTVQNJSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-22-16(21)12-8-4-5-9-13(12)17-14(18)10-6-2-3-7-11(10)15(19)20/h4-6,8-9,11H,2-3,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid?
2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 2812907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).