ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate

C11H19NO2 — CID 69301071

IUPACethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate
SMILESCCOC(=O)C1CC2CCC(C1)C2N
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)9-5-7-3-4-8(6-9)10(7)12/h7-10H,2-6,12H2,1H3
InChIKeyLKAFRCWZPKOLQR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.31
Rot. Bonds2

About ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate

ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate (PubChem CID 69301071) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate
PubChem CID69301071
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate
SMILESCCOC(=O)C1CC2CCC(C1)C2N
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)9-5-7-3-4-8(6-9)10(7)12/h7-10H,2-6,12H2,1H3
InChIKeyLKAFRCWZPKOLQR-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl (1R,2R,3S,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
CID 98135731
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate
CID 165451948
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419

Frequently Asked Questions

What is the IUPAC name of ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate (CID 69301071) is ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate is CCOC(=O)C1CC2CCC(C1)C2N.
What is the InChIKey of ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is LKAFRCWZPKOLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)9-5-7-3-4-8(6-9)10(7)12/h7-10H,2-6,12H2,1H3.
What are the key properties of ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate?
ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 69301071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).