tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate

C21H35NO4 — CID 91193583

IUPACtert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2(CC3CC3)CCC3(CC2)OCCO3)C1
InChIInChI=1S/C21H35NO4/c1-19(2,3)26-18(23)22-11-6-17(15-22)20(14-16-4-5-16)7-9-21(10-8-20)24-12-13-25-21/h16-17H,4-15H2,1-3H3
InChIKeyFVZTVBHHTKYLHI-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.35
Rot. Bonds3

About tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate

tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate (PubChem CID 91193583) has the molecular formula C21H35NO4 and a molecular weight of 365.51 g/mol. Its IUPAC name is tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate
PubChem CID91193583
Molecular FormulaC21H35NO4
Molecular Weight365.51 g/mol
Exact Mass365.26
IUPAC Nametert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2(CC3CC3)CCC3(CC2)OCCO3)C1
InChIInChI=1S/C21H35NO4/c1-19(2,3)26-18(23)22-11-6-17(15-22)20(14-16-4-5-16)7-9-21(10-8-20)24-12-13-25-21/h16-17H,4-15H2,1-3H3
InChIKeyFVZTVBHHTKYLHI-UHFFFAOYSA-N
XLogP4.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

1-Boc-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine
CID 169226202
Tert-butyl 3-[1-(cyclopropylmethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine-1-carboxylate
CID 91586086
tert-butyl (3R)-3-[5-(2-methyl-1,3-dioxolan-2-yl)pentyl]pyrrolidine-1-carboxylate
CID 146427974
Tert-butyl 3-[6-(2-methyl-1,3-dioxolan-2-yl)hexyl]pyrrolidine-1-carboxylate
CID 146431835
tert-butyl (3S)-3-[6-(2-methyl-1,3-dioxolan-2-yl)hexan-2-yl]pyrrolidine-1-carboxylate
CID 146608497
tert-butyl (3R)-3-[2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexyl]pyrrolidine-1-carboxylate
CID 155281976
tert-butyl (3R)-3-[6-(2-methyl-1,3-dioxolan-2-yl)hexyl]pyrrolidine-1-carboxylate
CID 163424643
tert-butyl (3S)-3-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopropyl]pyrrolidine-1-carboxylate
CID 170132322
tert-butyl (5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate
CID 172523805
tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate
CID 172523810

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate (CID 91193583) is tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2(CC3CC3)CCC3(CC2)OCCO3)C1.
What is the InChIKey of tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate?
The InChIKey is FVZTVBHHTKYLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO4/c1-19(2,3)26-18(23)22-11-6-17(15-22)20(14-16-4-5-16)7-9-21(10-8-20)24-12-13-25-21/h16-17H,4-15H2,1-3H3.
What are the key properties of tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate?
tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate has a molecular weight of 365.51 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91193583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).