tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate

C19H33NO4 — CID 172523810

IUPACtert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1CC[C@@H](CC2CCC3(CC2)OCCO3)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO4/c1-14-5-6-16(20(14)17(21)24-18(2,3)4)13-15-7-9-19(10-8-15)22-11-12-23-19/h14-16H,5-13H2,1-4H3/t14-,16-/m0/s1
InChIKeyZLWPGEXZRFPQCZ-HOCLYGCPSA-N
MW339.48 g/mol
LogP4.10
Rot. Bonds2

About tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate

tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate (PubChem CID 172523810) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate
PubChem CID172523810
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Nametert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1CC[C@@H](CC2CCC3(CC2)OCCO3)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO4/c1-14-5-6-16(20(14)17(21)24-18(2,3)4)13-15-7-9-19(10-8-15)22-11-12-23-19/h14-16H,5-13H2,1-4H3/t14-,16-/m0/s1
InChIKeyZLWPGEXZRFPQCZ-HOCLYGCPSA-N
XLogP4.10
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate with MolForge

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Related Compounds

1-Boc-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine
CID 169226202
Ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate
CID 59731850
(4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one
CID 67661785
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67903626
Tert-butyl 3-[8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]pyrrolidine-1-carboxylate
CID 91193583
Methyl 3-[3-[1,4-dioxaspiro[4.5]decan-8-yl(ethyl)amino]propyl]pyrrolidine-1-carboxylate
CID 140023906
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 N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate
CID 153338497
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate (CID 172523810) is tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate is C[C@H]1CC[C@@H](CC2CCC3(CC2)OCCO3)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate?
The InChIKey is ZLWPGEXZRFPQCZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H33NO4/c1-14-5-6-16(20(14)17(21)24-18(2,3)4)13-15-7-9-19(10-8-15)22-11-12-23-19/h14-16H,5-13H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate?
tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-5-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 172523810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).