ethyl 2-(2-aminocyclopentyl)oxybutanoate

C11H21NO3 — CID 106940805

IUPACethyl 2-(2-aminocyclopentyl)oxybutanoate
SMILESCCOC(=O)C(CC)OC1CCCC1N
InChIInChI=1S/C11H21NO3/c1-3-9(11(13)14-4-2)15-10-7-5-6-8(10)12/h8-10H,3-7,12H2,1-2H3
InChIKeyPTQIGAAWLMQBSV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.22
Rot. Bonds5

About ethyl 2-(2-aminocyclopentyl)oxybutanoate

ethyl 2-(2-aminocyclopentyl)oxybutanoate (PubChem CID 106940805) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-(2-aminocyclopentyl)oxybutanoate.

Molecular Properties

Compound Nameethyl 2-(2-aminocyclopentyl)oxybutanoate
PubChem CID106940805
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-(2-aminocyclopentyl)oxybutanoate
SMILESCCOC(=O)C(CC)OC1CCCC1N
InChIInChI=1S/C11H21NO3/c1-3-9(11(13)14-4-2)15-10-7-5-6-8(10)12/h8-10H,3-7,12H2,1-2H3
InChIKeyPTQIGAAWLMQBSV-UHFFFAOYSA-N
XLogP1.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminocyclopentyl)oxybutanoate?
The IUPAC name of ethyl 2-(2-aminocyclopentyl)oxybutanoate (CID 106940805) is ethyl 2-(2-aminocyclopentyl)oxybutanoate.
What is the SMILES notation for ethyl 2-(2-aminocyclopentyl)oxybutanoate?
The canonical SMILES for ethyl 2-(2-aminocyclopentyl)oxybutanoate is CCOC(=O)C(CC)OC1CCCC1N.
What is the InChIKey of ethyl 2-(2-aminocyclopentyl)oxybutanoate?
The InChIKey is PTQIGAAWLMQBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(11(13)14-4-2)15-10-7-5-6-8(10)12/h8-10H,3-7,12H2,1-2H3.
What are the key properties of ethyl 2-(2-aminocyclopentyl)oxybutanoate?
ethyl 2-(2-aminocyclopentyl)oxybutanoate has a molecular weight of 215.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminocyclopentyl)oxybutanoate is sourced from PubChem (CID 106940805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).