ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate

C16H23NO3 — CID 62028747

IUPACethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CCOc1ccccc1C
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)14-8-6-10-17(14)11-12-20-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyBBEXFDZZMREPPP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.40
Rot. Bonds6

About ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate

ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate (PubChem CID 62028747) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
PubChem CID62028747
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CCOc1ccccc1C
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)14-8-6-10-17(14)11-12-20-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyBBEXFDZZMREPPP-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate (CID 62028747) is ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CCOc1ccccc1C.
What is the InChIKey of ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is BBEXFDZZMREPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-19-16(18)14-8-6-10-17(14)11-12-20-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).