cycloheptylmethyl 4-aminooxolane-3-carboxylate

C13H23NO3 — CID 114248590

IUPACcycloheptylmethyl 4-aminooxolane-3-carboxylate
SMILESNC1COCC1C(=O)OCC1CCCCCC1
InChIInChI=1S/C13H23NO3/c14-12-9-16-8-11(12)13(15)17-7-10-5-3-1-2-4-6-10/h10-12H,1-9,14H2
InChIKeyLYOPNPUSZGRRGP-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.47
Rot. Bonds3

About cycloheptylmethyl 4-aminooxolane-3-carboxylate

cycloheptylmethyl 4-aminooxolane-3-carboxylate (PubChem CID 114248590) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is cycloheptylmethyl 4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Namecycloheptylmethyl 4-aminooxolane-3-carboxylate
PubChem CID114248590
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namecycloheptylmethyl 4-aminooxolane-3-carboxylate
SMILESNC1COCC1C(=O)OCC1CCCCCC1
InChIInChI=1S/C13H23NO3/c14-12-9-16-8-11(12)13(15)17-7-10-5-3-1-2-4-6-10/h10-12H,1-9,14H2
InChIKeyLYOPNPUSZGRRGP-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cycloheptylmethyl 4-aminooxolane-3-carboxylate?
The IUPAC name of cycloheptylmethyl 4-aminooxolane-3-carboxylate (CID 114248590) is cycloheptylmethyl 4-aminooxolane-3-carboxylate.
What is the SMILES notation for cycloheptylmethyl 4-aminooxolane-3-carboxylate?
The canonical SMILES for cycloheptylmethyl 4-aminooxolane-3-carboxylate is NC1COCC1C(=O)OCC1CCCCCC1.
What is the InChIKey of cycloheptylmethyl 4-aminooxolane-3-carboxylate?
The InChIKey is LYOPNPUSZGRRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c14-12-9-16-8-11(12)13(15)17-7-10-5-3-1-2-4-6-10/h10-12H,1-9,14H2.
What are the key properties of cycloheptylmethyl 4-aminooxolane-3-carboxylate?
cycloheptylmethyl 4-aminooxolane-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethyl 4-aminooxolane-3-carboxylate is sourced from PubChem (CID 114248590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).