ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate

C10H17NO2 — CID 165451948

IUPACethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate
SMILESCCOC(=O)C1CC2CC(N)C2C1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)7-3-6-5-9(11)8(6)4-7/h6-9H,2-5,11H2,1H3
InChIKeyFJQGGMRQIJOSIJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.92
Rot. Bonds2

About ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate

ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate (PubChem CID 165451948) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate
PubChem CID165451948
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate
SMILESCCOC(=O)C1CC2CC(N)C2C1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)7-3-6-5-9(11)8(6)4-7/h6-9H,2-5,11H2,1H3
InChIKeyFJQGGMRQIJOSIJ-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
CID 178190128
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate
CID 69301071
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
ethyl 3,4-difluorocyclopentane-1-carboxylate
CID 155893125
ethyl 3-fluorocyclobutane-1-carboxylate
CID 83853922
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl (1S,3R,4S)-4-amino-3-fluorocyclohexane-1-carboxylate
CID 172915911

Frequently Asked Questions

What is the IUPAC name of ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate?
The IUPAC name of ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate (CID 165451948) is ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate.
What is the SMILES notation for ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate?
The canonical SMILES for ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate is CCOC(=O)C1CC2CC(N)C2C1.
What is the InChIKey of ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate?
The InChIKey is FJQGGMRQIJOSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-10(12)7-3-6-5-9(11)8(6)4-7/h6-9H,2-5,11H2,1H3.
What are the key properties of ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate?
ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate is sourced from PubChem (CID 165451948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).