methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate

C11H17NO3 — CID 102276457

IUPACmethyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate
SMILESCC[C@]1(C(=O)OC)CC[C@@H]2CCC(=O)N21
InChIInChI=1S/C11H17NO3/c1-3-11(10(14)15-2)7-6-8-4-5-9(13)12(8)11/h8H,3-7H2,1-2H3/t8-,11+/m0/s1
InChIKeyZMEJCQUGJYQFII-GZMMTYOYSA-N
MW211.26 g/mol
LogP1.09
Rot. Bonds2

About methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate

methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate (PubChem CID 102276457) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate
PubChem CID102276457
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate
SMILESCC[C@]1(C(=O)OC)CC[C@@H]2CCC(=O)N21
InChIInChI=1S/C11H17NO3/c1-3-11(10(14)15-2)7-6-8-4-5-9(13)12(8)11/h8H,3-7H2,1-2H3/t8-,11+/m0/s1
InChIKeyZMEJCQUGJYQFII-GZMMTYOYSA-N
XLogP1.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate?
The IUPAC name of methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate (CID 102276457) is methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate.
What is the SMILES notation for methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate?
The canonical SMILES for methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate is CC[C@]1(C(=O)OC)CC[C@@H]2CCC(=O)N21.
What is the InChIKey of methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate?
The InChIKey is ZMEJCQUGJYQFII-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-11(10(14)15-2)7-6-8-4-5-9(13)12(8)11/h8H,3-7H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate?
methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,8R)-3-ethyl-5-oxo-2,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate is sourced from PubChem (CID 102276457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).