methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate

C15H25NO4 — CID 79919392

IUPACmethyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H25NO4/c1-18-14(17)13-3-2-7-16(13)12-4-8-20-15(11-12)5-9-19-10-6-15/h12-13H,2-11H2,1H3
InChIKeyIKHONNYELLNYJP-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.35
Rot. Bonds2

About methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate

methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate (PubChem CID 79919392) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
PubChem CID79919392
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H25NO4/c1-18-14(17)13-3-2-7-16(13)12-4-8-20-15(11-12)5-9-19-10-6-15/h12-13H,2-11H2,1H3
InChIKeyIKHONNYELLNYJP-UHFFFAOYSA-N
XLogP1.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896
1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
CID 79905951
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate
CID 112632907
methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
CID 170423315
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate (CID 79919392) is methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C1CCOC2(CCOCC2)C1.
What is the InChIKey of methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is IKHONNYELLNYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-18-14(17)13-3-2-7-16(13)12-4-8-20-15(11-12)5-9-19-10-6-15/h12-13H,2-11H2,1H3.
What are the key properties of methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate?
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 79919392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).