[(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate

C17H30N2O3 — CID 176748028

IUPAC[(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate
SMILESCC(C)C[C@]12CCCN1[C@@H](COC(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H30N2O3/c1-14(2)12-17-5-3-7-19(17)15(4-6-17)13-22-16(20)18-8-10-21-11-9-18/h14-15H,3-13H2,1-2H3/t15-,17-/m1/s1
InChIKeyRRYWZJXQNVHXRC-NVXWUHKLSA-N
MW310.44 g/mol
LogP2.50
Rot. Bonds4

About [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate

[(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate (PubChem CID 176748028) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name[(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate
PubChem CID176748028
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name[(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate
SMILESCC(C)C[C@]12CCCN1[C@@H](COC(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H30N2O3/c1-14(2)12-17-5-3-7-19(17)15(4-6-17)13-22-16(20)18-8-10-21-11-9-18/h14-15H,3-13H2,1-2H3/t15-,17-/m1/s1
InChIKeyRRYWZJXQNVHXRC-NVXWUHKLSA-N
XLogP2.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate with MolForge

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Related Compounds

[(3R,8R)-8-(iodooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate
CID 169181916
[(3R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl 4-ethylpiperazine-1-carboxylate
CID 169000360
[(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate
CID 176748073
[(3R,8R)-8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate
CID 166533142
[(3S,8S)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(trifluoromethyl)carbamate
CID 170368827
[(3S)-8-(3-propan-2-yloxypropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
CID 167196751
2-[(1-aminocyclopentyl)methoxy]-1-morpholin-4-ylpropan-1-one
CID 64574605
4-[(8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]morpholine
CID 176920884
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
(1-aminocyclohexyl)methyl morpholine-4-carboxylate
CID 79338373
[(3S,8R)-8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methanamine
CID 177217439
[(3S,8S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 156598778

Frequently Asked Questions

What is the IUPAC name of [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate?
The IUPAC name of [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate (CID 176748028) is [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate.
What is the SMILES notation for [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate?
The canonical SMILES for [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate is CC(C)C[C@]12CCCN1[C@@H](COC(=O)N1CCOCC1)CC2.
What is the InChIKey of [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate?
The InChIKey is RRYWZJXQNVHXRC-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-14(2)12-17-5-3-7-19(17)15(4-6-17)13-22-16(20)18-8-10-21-11-9-18/h14-15H,3-13H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate?
[(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate is sourced from PubChem (CID 176748028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).