(2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole

C14H19NO3 — CID 14262086

IUPAC(2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole
SMILESCO[C@@H]1O[C@H]2CCN[C@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-16-14-13(12-11(18-14)7-8-15-12)17-9-10-5-3-2-4-6-10/h2-6,11-15H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1
InChIKeyPTWMNKNVQMGAEN-REWJHTLYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds4

About (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole

(2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole (PubChem CID 14262086) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole.

Molecular Properties

Compound Name(2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole
PubChem CID14262086
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole
SMILESCO[C@@H]1O[C@H]2CCN[C@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-16-14-13(12-11(18-14)7-8-15-12)17-9-10-5-3-2-4-6-10/h2-6,11-15H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1
InChIKeyPTWMNKNVQMGAEN-REWJHTLYSA-N
XLogP1.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(3R,7S)-3-methoxy-7-phenylmethoxy-2-oxa-5-thiabicyclo[2.2.1]heptane
CID 163856153
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 14216835
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole?
The IUPAC name of (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole (CID 14262086) is (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole.
What is the SMILES notation for (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole?
The canonical SMILES for (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole is CO[C@@H]1O[C@H]2CCN[C@H]2[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole?
The InChIKey is PTWMNKNVQMGAEN-REWJHTLYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-16-14-13(12-11(18-14)7-8-15-12)17-9-10-5-3-2-4-6-10/h2-6,11-15H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole?
(2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole has a molecular weight of 249.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,3aR,6aS)-2-methoxy-3-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole is sourced from PubChem (CID 14262086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).