ethyl 2-(pyrrolidin-2-ylmethoxy)acetate

C9H17NO3 — CID 106939447

IUPACethyl 2-(pyrrolidin-2-ylmethoxy)acetate
SMILESCCOC(=O)COCC1CCCN1
InChIInChI=1S/C9H17NO3/c1-2-13-9(11)7-12-6-8-4-3-5-10-8/h8,10H,2-7H2,1H3
InChIKeyISASHVDTIFIQDX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds5

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

ethyl 2-(pyrrolidin-2-ylmethoxy)acetate (PubChem CID 106939447) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(pyrrolidin-2-ylmethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(pyrrolidin-2-ylmethoxy)acetate
PubChem CID106939447
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(pyrrolidin-2-ylmethoxy)acetate
SMILESCCOC(=O)COCC1CCCN1
InChIInChI=1S/C9H17NO3/c1-2-13-9(11)7-12-6-8-4-3-5-10-8/h8,10H,2-7H2,1H3
InChIKeyISASHVDTIFIQDX-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939416
ethyl pyrrolidin-2-ylmethyl carbonate
CID 79337609
ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939
acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
CID 131719663
N-prop-2-ynyl-2-(pyrrolidin-2-ylmethoxy)acetamide
CID 62333238
2-(ethoxymethyl)azepane
CID 79569846
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
ethyl 2-piperidin-2-yloxyacetate
CID 68921876
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 90890613

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrrolidin-2-ylmethoxy)acetate?
The IUPAC name of ethyl 2-(pyrrolidin-2-ylmethoxy)acetate (CID 106939447) is ethyl 2-(pyrrolidin-2-ylmethoxy)acetate.
What is the SMILES notation for ethyl 2-(pyrrolidin-2-ylmethoxy)acetate?
The canonical SMILES for ethyl 2-(pyrrolidin-2-ylmethoxy)acetate is CCOC(=O)COCC1CCCN1.
What is the InChIKey of ethyl 2-(pyrrolidin-2-ylmethoxy)acetate?
The InChIKey is ISASHVDTIFIQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-9(11)7-12-6-8-4-3-5-10-8/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 2-(pyrrolidin-2-ylmethoxy)acetate?
ethyl 2-(pyrrolidin-2-ylmethoxy)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 5 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)acetate is sourced from PubChem (CID 106939447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).