ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate

C11H19NO2 — CID 124637713

IUPACethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate
SMILESCCOC(=O)[C@@]12CCC[C@@](N)(CC1)C2
InChIInChI=1S/C11H19NO2/c1-2-14-9(13)10-4-3-5-11(12,8-10)7-6-10/h2-8,12H2,1H3/t10-,11+/m0/s1
InChIKeyTVLKCBWKNZEGNL-WDEREUQCSA-N
MW197.28 g/mol
LogP1.60
Rot. Bonds2

About ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate

ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate (PubChem CID 124637713) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate
PubChem CID124637713
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate
SMILESCCOC(=O)[C@@]12CCC[C@@](N)(CC1)C2
InChIInChI=1S/C11H19NO2/c1-2-14-9(13)10-4-3-5-11(12,8-10)7-6-10/h2-8,12H2,1H3/t10-,11+/m0/s1
InChIKeyTVLKCBWKNZEGNL-WDEREUQCSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
CID 122237424
ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate
CID 736922
ethyl 4-methoxybicyclo[2.2.2]octane-1-carboxylate
CID 59379789
ethyl 5-(azetidin-3-yl)bicyclo[3.1.1]heptane-1-carboxylate
CID 167717394
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 3-carbonochloridoylbicyclo[1.1.1]pentane-1-carboxylate
CID 130429896
4-aminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 45084820
diethyl cyclohex-2-ene-1,1-dicarboxylate
CID 10944145
ethyl 1-carbonochloridoylcyclobutane-1-carboxylate
CID 19096810
ethyl 1-carbonobromidoylcyclobutane-1-carboxylate
CID 20826021
diethyl 2,2-dimethylcyclopentane-1,1-dicarboxylate
CID 135041560
ethyl 1-(bromomethyl)cyclobutane-1-carboxylate
CID 127263900

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate (CID 124637713) is ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate is CCOC(=O)[C@@]12CCC[C@@](N)(CC1)C2.
What is the InChIKey of ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is TVLKCBWKNZEGNL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-9(13)10-4-3-5-11(12,8-10)7-6-10/h2-8,12H2,1H3/t10-,11+/m0/s1.
What are the key properties of ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate?
ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 124637713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).