(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid

C15H24F3NO4 — CID 155859597

IUPAC(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
SMILESC1CCC(COC[C@@]23CNC[C@@H]2COC3)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23NO2.C2HF3O2/c1-2-4-11(3-1)6-15-9-13-8-14-5-12(13)7-16-10-13;3-2(4,5)1(6)7/h11-12,14H,1-10H2;(H,6,7)/t12-,13-;/m1./s1
InChIKeyXRZUZCTUWPNJDB-OJERSXHUSA-N
MW339.35 g/mol
LogP2.06
Rot. Bonds4

About (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid

(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid (PubChem CID 155859597) has the molecular formula C15H24F3NO4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
PubChem CID155859597
Molecular FormulaC15H24F3NO4
Molecular Weight339.35 g/mol
Exact Mass339.17
IUPAC Name(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
SMILESC1CCC(COC[C@@]23CNC[C@@H]2COC3)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23NO2.C2HF3O2/c1-2-4-11(3-1)6-15-9-13-8-14-5-12(13)7-16-10-13;3-2(4,5)1(6)7/h11-12,14H,1-10H2;(H,6,7)/t12-,13-;/m1./s1
InChIKeyXRZUZCTUWPNJDB-OJERSXHUSA-N
XLogP2.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155835166
[(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3,3-difluorocyclobutyl)methanone
CID 97420986
(3aS,6aR)-3a-(oxan-4-ylmethoxymethyl)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155846304
(3aS,6aR)-5-[(2-fluorophenyl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155825423
1-[(3aS,6aR)-3a-(cyclobutylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-methylsulfonylethanone
CID 97476979
1-[(3aS,6aR)-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-phenylethanone
CID 97421005
(3aR,6aR)-3a-(pyridin-2-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;dihydrochloride
CID 155848137
[(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone
CID 124800529
(3aS,6aR)-3a-(ethoxymethyl)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155830258
(3aR,6aR)-5-cyclobutyl-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155849756
3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
CID 170912508
3a-(morpholin-4-ylmethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 172642973

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid (CID 155859597) is (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid is C1CCC(COC[C@@]23CNC[C@@H]2COC3)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The InChIKey is XRZUZCTUWPNJDB-OJERSXHUSA-N. The full InChI is InChI=1S/C13H23NO2.C2HF3O2/c1-2-4-11(3-1)6-15-9-13-8-14-5-12(13)7-16-10-13;3-2(4,5)1(6)7/h11-12,14H,1-10H2;(H,6,7)/t12-,13-;/m1./s1.
What are the key properties of (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid has a molecular weight of 339.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155859597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).