ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate

C8H13NO2 — CID 122237424

IUPACethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
SMILESCCOC(=O)C12CC(N)(C1)C2
InChIInChI=1S/C8H13NO2/c1-2-11-6(10)7-3-8(9,4-7)5-7/h2-5,9H2,1H3
InChIKeyOZQRFKYCSJTWPL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.43
Rot. Bonds2

About ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate

ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate (PubChem CID 122237424) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
PubChem CID122237424
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
SMILESCCOC(=O)C12CC(N)(C1)C2
InChIInChI=1S/C8H13NO2/c1-2-11-6(10)7-3-8(9,4-7)5-7/h2-5,9H2,1H3
InChIKeyOZQRFKYCSJTWPL-UHFFFAOYSA-N
XLogP0.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate?
The IUPAC name of ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate (CID 122237424) is ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate.
What is the SMILES notation for ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate?
The canonical SMILES for ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate is CCOC(=O)C12CC(N)(C1)C2.
What is the InChIKey of ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate?
The InChIKey is OZQRFKYCSJTWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-6(10)7-3-8(9,4-7)5-7/h2-5,9H2,1H3.
What are the key properties of ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate?
ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate is sourced from PubChem (CID 122237424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).