(3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C16H25NO5 — CID 70579357

IUPAC(3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2C(N3CCOCC3)[C@@H](OC3CCCCO3)C[C@@H]2O1
InChIInChI=1S/C16H25NO5/c18-14-9-11-12(21-14)10-13(22-15-3-1-2-6-20-15)16(11)17-4-7-19-8-5-17/h11-13,15-16H,1-10H2/t11-,12-,13-,15?,16?/m0/s1
InChIKeyXMNNJRJNMFBJPQ-SZOBRSDKSA-N
MW311.38 g/mol
LogP0.93
Rot. Bonds3

About (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 70579357) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID70579357
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name(3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2C(N3CCOCC3)[C@@H](OC3CCCCO3)C[C@@H]2O1
InChIInChI=1S/C16H25NO5/c18-14-9-11-12(21-14)10-13(22-15-3-1-2-6-20-15)16(11)17-4-7-19-8-5-17/h11-13,15-16H,1-10H2/t11-,12-,13-,15?,16?/m0/s1
InChIKeyXMNNJRJNMFBJPQ-SZOBRSDKSA-N
XLogP0.93
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one 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

(3aS,4S,5S,6aR)-5-(oxan-2-yloxy)-4-piperidin-1-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815878
(3aR,5R,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 73357579
(3aR,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67875628
(3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815893
(3aS,4R,5R,6aR)-5-hydroxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815895
4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 86751746
(3aS,4S,5R,6aR)-4-[(E)-4-(4-methoxyphenoxy)-1-(oxan-2-yloxy)but-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67931768
(3aS,4S,5R)-4-[(E)-4-(4-bromophenoxy)-1-(oxan-2-yloxy)but-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70460003
(3aR,4R,5R,6aS)-4-[(3R,4R)-4-methyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70358135
(3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxy-7-methyloctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22884806
(3aR,4R,5R,6aS)-4-[(E)-2-[2-[(4-fluorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22803353
(3aR,4R,5R,6aS)-4-[(E,3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 71463687

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 70579357) is (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1C[C@@H]2C(N3CCOCC3)[C@@H](OC3CCCCO3)C[C@@H]2O1.
What is the InChIKey of (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is XMNNJRJNMFBJPQ-SZOBRSDKSA-N. The full InChI is InChI=1S/C16H25NO5/c18-14-9-11-12(21-14)10-13(22-15-3-1-2-6-20-15)16(11)17-4-7-19-8-5-17/h11-13,15-16H,1-10H2/t11-,12-,13-,15?,16?/m0/s1.
What are the key properties of (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 311.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 70579357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).