9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid

C24H25NO5 — CID 154577043

IUPAC9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid
SMILESO=C(O)C1N(C(=O)OCC2c3ccccc3-c3ccccc32)CCOC12CCCC2
InChIInChI=1S/C24H25NO5/c26-22(27)21-24(11-5-6-12-24)30-14-13-25(21)23(28)29-15-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-21H,5-6,11-15H2,(H,26,27)
InChIKeyGTNLPUDLFIJWDD-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.03
Rot. Bonds3

About 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid

9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid (PubChem CID 154577043) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid.

Molecular Properties

Compound Name9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid
PubChem CID154577043
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid
SMILESO=C(O)C1N(C(=O)OCC2c3ccccc3-c3ccccc32)CCOC12CCCC2
InChIInChI=1S/C24H25NO5/c26-22(27)21-24(11-5-6-12-24)30-14-13-25(21)23(28)29-15-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-21H,5-6,11-15H2,(H,26,27)
InChIKeyGTNLPUDLFIJWDD-UHFFFAOYSA-N
XLogP4.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid with MolForge

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Related Compounds

(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
(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)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidine-2-carboxylic acid
CID 171558951
copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)
CID 169145121
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
(2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 155290191
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate
CID 89034992

Frequently Asked Questions

What is the IUPAC name of 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid?
The IUPAC name of 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid (CID 154577043) is 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid.
What is the SMILES notation for 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid?
The canonical SMILES for 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid is O=C(O)C1N(C(=O)OCC2c3ccccc3-c3ccccc32)CCOC12CCCC2.
What is the InChIKey of 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid?
The InChIKey is GTNLPUDLFIJWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c26-22(27)21-24(11-5-6-12-24)30-14-13-25(21)23(28)29-15-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-21H,5-6,11-15H2,(H,26,27).
What are the key properties of 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid?
9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid has a molecular weight of 407.47 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid is sourced from PubChem (CID 154577043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).