9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate

C22H21NO4 — CID 141105402

IUPAC9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate
SMILESO=C1CO[C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]12
InChIInChI=1S/C22H21NO4/c24-19-13-26-20-10-5-11-23(21(19)20)22(25)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18,20-21H,5,10-13H2/t20-,21-/m1/s1
InChIKeyHCFBIYOSZJUUSO-NHCUHLMSSA-N
MW363.41 g/mol
LogP3.37
Rot. Bonds2

About 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate

9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate (PubChem CID 141105402) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate
PubChem CID141105402
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate
SMILESO=C1CO[C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]12
InChIInChI=1S/C22H21NO4/c24-19-13-26-20-10-5-11-23(21(19)20)22(25)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18,20-21H,5,10-13H2/t20-,21-/m1/s1
InChIKeyHCFBIYOSZJUUSO-NHCUHLMSSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67048781
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
9H-fluoren-9-ylmethyl (1R,2R,6R,8R,9R)-4,4-dimethyl-15-oxo-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecane-10-carboxylate
CID 16667541
9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
CID 86295162
9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate
CID 166036291

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate (CID 141105402) is 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate is O=C1CO[C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]12.
What is the InChIKey of 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate?
The InChIKey is HCFBIYOSZJUUSO-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H21NO4/c24-19-13-26-20-10-5-11-23(21(19)20)22(25)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18,20-21H,5,10-13H2/t20-,21-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate?
9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate is sourced from PubChem (CID 141105402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).