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

C16H28N2O3 — CID 176748073

IUPAC[(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate
SMILESCC(C)C[C@@]12CCCN1C[C@H](OC(=O)N1CCOCC1)C2
InChIInChI=1S/C16H28N2O3/c1-13(2)10-16-4-3-5-18(16)12-14(11-16)21-15(19)17-6-8-20-9-7-17/h13-14H,3-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyUNKVINUFEJLTTQ-GDBMZVCRSA-N
MW296.41 g/mol
LogP2.11
Rot. Bonds3

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

[(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate (PubChem CID 176748073) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate
PubChem CID176748073
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate
SMILESCC(C)C[C@@]12CCCN1C[C@H](OC(=O)N1CCOCC1)C2
InChIInChI=1S/C16H28N2O3/c1-13(2)10-16-4-3-5-18(16)12-14(11-16)21-15(19)17-6-8-20-9-7-17/h13-14H,3-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyUNKVINUFEJLTTQ-GDBMZVCRSA-N
XLogP2.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate
CID 176748028
2-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]acetic acid
CID 170411835
4-[2-[[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethyl]morpholine
CID 170411836
8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 166818663
2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169289855
4-[1-(2-methylpropyl)cyclopropyl]morpholine
CID 170001181
ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 159738289
tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate
CID 71134902
methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate
CID 166137248
ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164904001
(2S,8R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170424236
(1-aminocyclohexyl)methyl morpholine-4-carboxylate
CID 79338373

Frequently Asked Questions

What is the IUPAC name of [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate?
The IUPAC name of [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate (CID 176748073) is [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate is CC(C)C[C@@]12CCCN1C[C@H](OC(=O)N1CCOCC1)C2.
What is the InChIKey of [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate?
The InChIKey is UNKVINUFEJLTTQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(2)10-16-4-3-5-18(16)12-14(11-16)21-15(19)17-6-8-20-9-7-17/h13-14H,3-12H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate?
[(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 176748073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).