propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate

C10H17NO3 — CID 116656545

IUPACpropan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCC(C)OC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C10H17NO3/c1-7(2)13-10(12)11-5-8-3-4-9(6-11)14-8/h7-9H,3-6H2,1-2H3
InChIKeyBJDINWODUBXKBJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.39
Rot. Bonds1

About propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate

propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 116656545) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID116656545
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepropan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCC(C)OC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C10H17NO3/c1-7(2)13-10(12)11-5-8-3-4-9(6-11)14-8/h7-9H,3-6H2,1-2H3
InChIKeyBJDINWODUBXKBJ-UHFFFAOYSA-N
XLogP1.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1R,3S,5S)-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane-6-carboxylate
CID 90680657
Tert-butyl 3-butoxy-5-fluoroazepane-1-carboxylate
CID 118232844
Tert-butyl 3-butoxy-6-fluoroazepane-1-carboxylate
CID 118232856
2,2,2-Trifluoroethyl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 66370922
2-Fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 130165202
(1-Ethyl-4,4-difluoropyrrolidin-3-yl) 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 170606685
Wabneichbrbocm-uhfffaoysa-
CID 11265004
Ethyl 7-oxa-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 10877578
3-Hexyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 17965845
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 21544569
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 21544575
8-Oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 21925217

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate (CID 116656545) is propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate is CC(C)OC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is BJDINWODUBXKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)13-10(12)11-5-8-3-4-9(6-11)14-8/h7-9H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 116656545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).