3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid

C25H26N2O5 — CID 165444512

IUPAC3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid
SMILESO=C(O)C1COC2(CN3CCC2CC3)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H26N2O5/c28-23(29)22-14-32-25(15-26-11-9-16(25)10-12-26)27(22)24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21-22H,9-15H2,(H,28,29)
InChIKeyVJUSRAWSDGXAED-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.14
Rot. Bonds3

About 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid

3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid (PubChem CID 165444512) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid
PubChem CID165444512
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid
SMILESO=C(O)C1COC2(CN3CCC2CC3)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H26N2O5/c28-23(29)22-14-32-25(15-26-11-9-16(25)10-12-26)27(22)24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21-22H,9-15H2,(H,28,29)
InChIKeyVJUSRAWSDGXAED-UHFFFAOYSA-N
XLogP3.14
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91666990
(5S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 171370723
(5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 172868522
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
9H-fluoren-9-ylmethyl (3S)-3-acetyl-6,6-dimethyl-1,5,2-dioxazinane-2-carboxylate
CID 138965947
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylazetidine-2-carboxylic acid
CID 154704783
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
(2S,3aR,8bR)-3-(9H-fluoren-9-ylmethoxycarbonyl)-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole-2-carboxylic acid
CID 132601274
(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidine-2-carboxylic acid
CID 171558951
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
CID 165478738

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid (CID 165444512) is 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid is O=C(O)C1COC2(CN3CCC2CC3)N1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid?
The InChIKey is VJUSRAWSDGXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c28-23(29)22-14-32-25(15-26-11-9-16(25)10-12-26)27(22)24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21-22H,9-15H2,(H,28,29).
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid?
3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid has a molecular weight of 434.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid is sourced from PubChem (CID 165444512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).