ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate

C16H27NO3 — CID 102899992

IUPACethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H27NO3/c1-2-19-15(18)14-6-5-11-17(14)12-13-7-10-16(20-13)8-3-4-9-16/h13-14H,2-12H2,1H3
InChIKeyFDHSZJZRAHZDCJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.51
Rot. Bonds4

About ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate

ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 102899992) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID102899992
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H27NO3/c1-2-19-15(18)14-6-5-11-17(14)12-13-7-10-16(20-13)8-3-4-9-16/h13-14H,2-12H2,1H3
InChIKeyFDHSZJZRAHZDCJ-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate
CID 58176271
Methyl 7-methyl-1-oxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 122450808
hexadecan-4-yl (2R)-1-methylpyrrolidine-2-carboxylate
CID 122661021
1-(2,2,3,3-Tetramethylcyclopentyl)propan-2-yl 1-methylpyrrolidine-2-carboxylate
CID 131968654
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate
CID 131968762
Pentadecan-3-yl 1-methylpyrrolidine-2-carboxylate
CID 151405768
carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium
CID 162113705
O2-tert-butyl O3-ethyl (3S)-2-azaspiro[4.4]nonane-2,3-dicarboxylate
CID 163225065
(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid
CID 178086649
tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
CID 178086712
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid
CID 178086894
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane
CID 178087243

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate (CID 102899992) is ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is FDHSZJZRAHZDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-19-15(18)14-6-5-11-17(14)12-13-7-10-16(20-13)8-3-4-9-16/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate?
ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 102899992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).