ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate

C16H28N2O3 — CID 131936680

IUPACethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC3(CCOCC3)C2)C1
InChIInChI=1S/C16H28N2O3/c1-2-21-15(19)17-9-4-14(12-17)18-8-3-5-16(13-18)6-10-20-11-7-16/h14H,2-13H2,1H3
InChIKeyMAFWSQKFIVXKSB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.11
Rot. Bonds2

About ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate

ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 131936680) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate
PubChem CID131936680
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC3(CCOCC3)C2)C1
InChIInChI=1S/C16H28N2O3/c1-2-21-15(19)17-9-4-14(12-17)18-8-3-5-16(13-18)6-10-20-11-7-16/h14H,2-13H2,1H3
InChIKeyMAFWSQKFIVXKSB-UHFFFAOYSA-N
XLogP2.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 59403066
ethyl 3-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylpyrrolidine-1-carboxylate
CID 162626592
ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate
CID 97151873
ethyl 2-[4-(3,3-difluoropiperidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303202
ethyl (3R)-3-[(7aR)-7a-methyl-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 129447712
ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
CID 143591983
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
ethyl 4-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]azepane-1-carboxylate
CID 123970015
ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26315201
2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate
CID 63719362
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate (CID 131936680) is ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(N2CCCC3(CCOCC3)C2)C1.
What is the InChIKey of ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is MAFWSQKFIVXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-15(19)17-9-4-14(12-17)18-8-3-5-16(13-18)6-10-20-11-7-16/h14H,2-13H2,1H3.
What are the key properties of ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate?
ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 131936680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).