methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate

C11H15NO3 — CID 129413869

IUPACmethyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@H]1c1ccc(C)o1
InChIInChI=1S/C11H15NO3/c1-7-3-4-10(15-7)8-5-12-6-9(8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyNURKQWMARMRHQE-BDAKNGLRSA-N
MW209.24 g/mol
LogP1.06
Rot. Bonds2

About methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate

methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate (PubChem CID 129413869) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate
PubChem CID129413869
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@H]1c1ccc(C)o1
InChIInChI=1S/C11H15NO3/c1-7-3-4-10(15-7)8-5-12-6-9(8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyNURKQWMARMRHQE-BDAKNGLRSA-N
XLogP1.06
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate (CID 129413869) is methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate is COC(=O)[C@H]1CNC[C@H]1c1ccc(C)o1.
What is the InChIKey of methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is NURKQWMARMRHQE-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-3-4-10(15-7)8-5-12-6-9(8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate?
methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 129413869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).