6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C11H16N2O5 — CID 83202392

IUPAC6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESNC(=O)OCCNC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C11H16N2O5/c12-11(17)18-6-5-13-9(14)7-3-1-2-4-8(7)10(15)16/h1-2,7-8H,3-6H2,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyODOVVIUASDGLIS-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.14
Rot. Bonds5

About 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 83202392) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID83202392
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESNC(=O)OCCNC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C11H16N2O5/c12-11(17)18-6-5-13-9(14)7-3-1-2-4-8(7)10(15)16/h1-2,7-8H,3-6H2,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyODOVVIUASDGLIS-UHFFFAOYSA-N
XLogP-0.14
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,6R)-6-[(3-amino-3-oxopropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93241610
6-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63828896
6-[(3-methoxy-3-oxopropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 43222523
(1S,6R)-6-[3-(2-hydroxyethoxy)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114171113
6-[3-(2-hydroxyethoxy)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106305133
6-(3-carboxypropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 54868731
6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137
6-(3-methylbutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 43396390
(1R,6S)-6-(ethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40538429
(1S,6S)-6-(hexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40579321
(1S,6R)-6-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962335
6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2900767

Frequently Asked Questions

What is the IUPAC name of 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 83202392) is 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is NC(=O)OCCNC(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is ODOVVIUASDGLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c12-11(17)18-6-5-13-9(14)7-3-1-2-4-8(7)10(15)16/h1-2,7-8H,3-6H2,(H2,12,17)(H,13,14)(H,15,16).
What are the key properties of 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-carbamoyloxyethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 83202392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).