3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid

C15H24N2O4 — CID 64889089

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCOC1)C1CC2CCC1C2
InChIInChI=1S/C15H24N2O4/c1-9(12-7-10-2-3-11(12)6-10)16-14(20)17-15(13(18)19)4-5-21-8-15/h9-12H,2-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTWOIRDMXFOYFQM-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.35
Rot. Bonds4

About 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid

3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64889089) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID64889089
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCOC1)C1CC2CCC1C2
InChIInChI=1S/C15H24N2O4/c1-9(12-7-10-2-3-11(12)6-10)16-14(20)17-15(13(18)19)4-5-21-8-15/h9-12H,2-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTWOIRDMXFOYFQM-UHFFFAOYSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 64889089) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCOC1)C1CC2CCC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is TWOIRDMXFOYFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(12-7-10-2-3-11(12)6-10)16-14(20)17-15(13(18)19)4-5-21-8-15/h9-12H,2-8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).