ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate

C11H21NO3 — CID 106939450

IUPACethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
SMILESCCOC(=O)C(CC)OCC1CCCN1
InChIInChI=1S/C11H21NO3/c1-3-10(11(13)14-4-2)15-8-9-6-5-7-12-9/h9-10,12H,3-8H2,1-2H3
InChIKeyACQITGVAXLCIKP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds6

About ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate

ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate (PubChem CID 106939450) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
PubChem CID106939450
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
SMILESCCOC(=O)C(CC)OCC1CCCN1
InChIInChI=1S/C11H21NO3/c1-3-10(11(13)14-4-2)15-8-9-6-5-7-12-9/h9-10,12H,3-8H2,1-2H3
InChIKeyACQITGVAXLCIKP-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-2-ylmethoxy)pentanoic acid
CID 106939418
ethyl pyrrolidin-2-ylmethyl carbonate
CID 79337609
ethyl 2-(2-piperidin-2-ylethoxy)pentanoate
CID 106939616
ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
N-pentan-3-yl-2-(piperidin-2-ylmethoxy)propanamide
CID 62339226
ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
CID 106614541
(2S)-2-(1-iodobutoxymethyl)pyrrolidine
CID 121274934
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
CID 103488467
ethyl 2-(piperidin-3-ylmethoxy)pentanoate
CID 83212553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate?
The IUPAC name of ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate (CID 106939450) is ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate.
What is the SMILES notation for ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate?
The canonical SMILES for ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate is CCOC(=O)C(CC)OCC1CCCN1.
What is the InChIKey of ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate?
The InChIKey is ACQITGVAXLCIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-10(11(13)14-4-2)15-8-9-6-5-7-12-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate?
ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate is sourced from PubChem (CID 106939450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).