methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

C16H21NO3 — CID 164890666

IUPACmethyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCOC(=O)[C@]12CCCN1C[C@H](OCc1ccccc1)C2
InChIInChI=1S/C16H21NO3/c1-19-15(18)16-8-5-9-17(16)11-14(10-16)20-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-,16-/m1/s1
InChIKeyHRHWVUUFRMUFGR-GDBMZVCRSA-N
MW275.35 g/mol
LogP1.98
Rot. Bonds4

About methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 164890666) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID164890666
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCOC(=O)[C@]12CCCN1C[C@H](OCc1ccccc1)C2
InChIInChI=1S/C16H21NO3/c1-19-15(18)16-8-5-9-17(16)11-14(10-16)20-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-,16-/m1/s1
InChIKeyHRHWVUUFRMUFGR-GDBMZVCRSA-N
XLogP1.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 164890666) is methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is COC(=O)[C@]12CCCN1C[C@H](OCc1ccccc1)C2.
What is the InChIKey of methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is HRHWVUUFRMUFGR-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-15(18)16-8-5-9-17(16)11-14(10-16)20-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-,16-/m1/s1.
What are the key properties of methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 164890666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).