(R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol

C30H40N2O2 — CID 100992937

IUPAC(R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@H]1C[C@H]2CCC[C@H]2N1CCN1[C@@H]2CCC[C@@H]2C[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C30H40N2O2/c33-29(21-9-3-1-4-10-21)27-19-23-13-7-15-25(23)31(27)17-18-32-26-16-8-14-24(26)20-28(32)30(34)22-11-5-2-6-12-22/h1-6,9-12,23-30,33-34H,7-8,13-20H2/t23-,24-,25-,26-,27-,28-,29-,30-/m1/s1
InChIKeyBBIGKJYDUHJGOP-HAMKONSASA-N
MW460.66 g/mol
LogP4.94
Rot. Bonds7

About (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol

(R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol (PubChem CID 100992937) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol
PubChem CID100992937
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC Name(R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@H]1C[C@H]2CCC[C@H]2N1CCN1[C@@H]2CCC[C@@H]2C[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C30H40N2O2/c33-29(21-9-3-1-4-10-21)27-19-23-13-7-15-25(23)31(27)17-18-32-26-16-8-14-24(26)20-28(32)30(34)22-11-5-2-6-12-22/h1-6,9-12,23-30,33-34H,7-8,13-20H2/t23-,24-,25-,26-,27-,28-,29-,30-/m1/s1
InChIKeyBBIGKJYDUHJGOP-HAMKONSASA-N
XLogP4.94
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.66
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol (CID 100992937) is (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol is O[C@H](c1ccccc1)[C@H]1C[C@H]2CCC[C@H]2N1CCN1[C@@H]2CCC[C@@H]2C[C@@H]1[C@H](O)c1ccccc1.
What is the InChIKey of (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol?
The InChIKey is BBIGKJYDUHJGOP-HAMKONSASA-N. The full InChI is InChI=1S/C30H40N2O2/c33-29(21-9-3-1-4-10-21)27-19-23-13-7-15-25(23)31(27)17-18-32-26-16-8-14-24(26)20-28(32)30(34)22-11-5-2-6-12-22/h1-6,9-12,23-30,33-34H,7-8,13-20H2/t23-,24-,25-,26-,27-,28-,29-,30-/m1/s1.
What are the key properties of (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol?
(R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol has a molecular weight of 460.66 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,3aR,6aR)-1-[2-[(2R,3aR,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-phenylmethanol is sourced from PubChem (CID 100992937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).