(1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate

C14H23NO4 — CID 143415177

IUPAC(1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate
SMILESCC1CCN(C(=O)OC2(C(C)C)CC2)CC(=O)CO1
InChIInChI=1S/C14H23NO4/c1-10(2)14(5-6-14)19-13(17)15-7-4-11(3)18-9-12(16)8-15/h10-11H,4-9H2,1-3H3
InChIKeyZXGCIIRMTLDRAR-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.99
Rot. Bonds2

About (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate

(1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate (PubChem CID 143415177) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate
PubChem CID143415177
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate
SMILESCC1CCN(C(=O)OC2(C(C)C)CC2)CC(=O)CO1
InChIInChI=1S/C14H23NO4/c1-10(2)14(5-6-14)19-13(17)15-7-4-11(3)18-9-12(16)8-15/h10-11H,4-9H2,1-3H3
InChIKeyZXGCIIRMTLDRAR-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate?
The IUPAC name of (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate (CID 143415177) is (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate.
What is the SMILES notation for (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate?
The canonical SMILES for (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate is CC1CCN(C(=O)OC2(C(C)C)CC2)CC(=O)CO1.
What is the InChIKey of (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate?
The InChIKey is ZXGCIIRMTLDRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(2)14(5-6-14)19-13(17)15-7-4-11(3)18-9-12(16)8-15/h10-11H,4-9H2,1-3H3.
What are the key properties of (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate?
(1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate is sourced from PubChem (CID 143415177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).