[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone

C17H26N2O4 — CID 131684765

IUPAC[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone
SMILESO=C(C1CC(O)C1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H26N2O4/c20-12-7-11(8-12)16(21)19-9-14(13-3-6-23-15(13)10-19)17(22)18-4-1-2-5-18/h11-15,20H,1-10H2/t11?,12?,13-,14+,15+/m0/s1
InChIKeyMVZYLDBRZRYVGS-MMCPYJTDSA-N
MW322.41 g/mol
LogP0.24
Rot. Bonds2

About [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone

[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone (PubChem CID 131684765) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone.

Molecular Properties

Compound Name[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone
PubChem CID131684765
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone
SMILESO=C(C1CC(O)C1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H26N2O4/c20-12-7-11(8-12)16(21)19-9-14(13-3-6-23-15(13)10-19)17(22)18-4-1-2-5-18/h11-15,20H,1-10H2/t11?,12?,13-,14+,15+/m0/s1
InChIKeyMVZYLDBRZRYVGS-MMCPYJTDSA-N
XLogP0.24
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone with MolForge

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Related Compounds

[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylcyclobutyl)methanone
CID 131684563
[(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 131684954
[(3aS,4S,7aS)-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
CID 131684769
[(3aR,4S,7aR)-6-[(4-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 124796612
[(3aS,4R,7aS)-6-[(5-methylthiophen-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97365003
[(3aS,4S,7aS)-6-benzyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842247
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride
CID 155855911
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
(5aR,9aR)-8-(3-hydroxycyclobutanecarbonyl)-4-(pyridin-4-ylmethyl)-3,5a,6,7,9,9a-hexahydro-2H-pyrido[4,3-f][1,4]oxazepin-5-one
CID 131688239
[(4aR,6S,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 171316896
(3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 131684699

Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone?
The IUPAC name of [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone (CID 131684765) is [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone.
What is the SMILES notation for [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone?
The canonical SMILES for [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone is O=C(C1CC(O)C1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone?
The InChIKey is MVZYLDBRZRYVGS-MMCPYJTDSA-N. The full InChI is InChI=1S/C17H26N2O4/c20-12-7-11(8-12)16(21)19-9-14(13-3-6-23-15(13)10-19)17(22)18-4-1-2-5-18/h11-15,20H,1-10H2/t11?,12?,13-,14+,15+/m0/s1.
What are the key properties of [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone?
[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone has a molecular weight of 322.41 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone is sourced from PubChem (CID 131684765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).