ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate

C11H21NO3 — CID 62028361

IUPACethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
SMILESCCOCCN1CCCC1C(=O)OCC
InChIInChI=1S/C11H21NO3/c1-3-14-9-8-12-7-5-6-10(12)11(13)15-4-2/h10H,3-9H2,1-2H3
InChIKeyVZFGMBJXXVWINV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds6

About ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate

ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate (PubChem CID 62028361) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
PubChem CID62028361
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
SMILESCCOCCN1CCCC1C(=O)OCC
InChIInChI=1S/C11H21NO3/c1-3-14-9-8-12-7-5-6-10(12)11(13)15-4-2/h10H,3-9H2,1-2H3
InChIKeyVZFGMBJXXVWINV-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
ethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
CID 62326636
ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
CID 62028747
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028766
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
CID 55236129

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate (CID 62028361) is ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate is CCOCCN1CCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate?
The InChIKey is VZFGMBJXXVWINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-14-9-8-12-7-5-6-10(12)11(13)15-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate?
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).