methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate

C17H27NO5 — CID 11209564

IUPACmethyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCCOC1CC[C@H](CCC2CC(=O)C(CC)=CO2)N1C(=O)OC
InChIInChI=1S/C17H27NO5/c1-4-12-11-23-14(10-15(12)19)8-6-13-7-9-16(22-5-2)18(13)17(20)21-3/h11,13-14,16H,4-10H2,1-3H3/t13-,14?,16?/m0/s1
InChIKeyLBDHXUPLLCUBJH-HLIUYOAVSA-N
MW325.41 g/mol
LogP3.01
Rot. Bonds6

About methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate

methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 11209564) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate
PubChem CID11209564
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Namemethyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCCOC1CC[C@H](CCC2CC(=O)C(CC)=CO2)N1C(=O)OC
InChIInChI=1S/C17H27NO5/c1-4-12-11-23-14(10-15(12)19)8-6-13-7-9-16(22-5-2)18(13)17(20)21-3/h11,13-14,16H,4-10H2,1-3H3/t13-,14?,16?/m0/s1
InChIKeyLBDHXUPLLCUBJH-HLIUYOAVSA-N
XLogP3.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

methyl (5R)-2-ethoxy-5-[(6E)-6-(methoxymethylidene)-3,5-dioxooctyl]pyrrolidine-1-carboxylate
CID 11187383
methyl (5S)-2-ethoxy-5-[(6E)-3-hydroxy-6-(methoxymethylidene)-5-oxooctyl]pyrrolidine-1-carboxylate
CID 11360308
methyl (5S)-2-ethoxy-5-[(6E)-6-(methoxymethylidene)-3,5-dioxooctyl]pyrrolidine-1-carboxylate
CID 101745160

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate (CID 11209564) is methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate is CCOC1CC[C@H](CCC2CC(=O)C(CC)=CO2)N1C(=O)OC.
What is the InChIKey of methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is LBDHXUPLLCUBJH-HLIUYOAVSA-N. The full InChI is InChI=1S/C17H27NO5/c1-4-12-11-23-14(10-15(12)19)8-6-13-7-9-16(22-5-2)18(13)17(20)21-3/h11,13-14,16H,4-10H2,1-3H3/t13-,14?,16?/m0/s1.
What are the key properties of methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate?
methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-ethoxy-5-[2-(5-ethyl-4-oxo-2,3-dihydropyran-2-yl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11209564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).