10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid

C14H18N2O8 — CID 19360390

IUPAC10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
SMILESCNC(=O)OCC12OC1CC1C(C(=O)O)=COC(OC(=O)NC)C12
InChIInChI=1S/C14H18N2O8/c1-15-12(19)22-5-14-8(24-14)3-6-7(10(17)18)4-21-11(9(6)14)23-13(20)16-2/h4,6,8-9,11H,3,5H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyKFMBVHICMSULGB-UHFFFAOYSA-N
MW342.30 g/mol
LogP-0.20
Rot. Bonds4

About 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid

10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid (PubChem CID 19360390) has the molecular formula C14H18N2O8 and a molecular weight of 342.30 g/mol. Its IUPAC name is 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid.

Molecular Properties

Compound Name10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
PubChem CID19360390
Molecular FormulaC14H18N2O8
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC Name10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
SMILESCNC(=O)OCC12OC1CC1C(C(=O)O)=COC(OC(=O)NC)C12
InChIInChI=1S/C14H18N2O8/c1-15-12(19)22-5-14-8(24-14)3-6-7(10(17)18)4-21-11(9(6)14)23-13(20)16-2/h4,6,8-9,11H,3,5H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyKFMBVHICMSULGB-UHFFFAOYSA-N
XLogP-0.20
TPSA135.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid?
The IUPAC name of 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid (CID 19360390) is 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid.
What is the SMILES notation for 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid?
The canonical SMILES for 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid is CNC(=O)OCC12OC1CC1C(C(=O)O)=COC(OC(=O)NC)C12.
What is the InChIKey of 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid?
The InChIKey is KFMBVHICMSULGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O8/c1-15-12(19)22-5-14-8(24-14)3-6-7(10(17)18)4-21-11(9(6)14)23-13(20)16-2/h4,6,8-9,11H,3,5H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid?
10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid has a molecular weight of 342.30 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid is sourced from PubChem (CID 19360390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).