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

C27H27NO7 — CID 16667541

IUPAC9H-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
SMILESCC1(C)O[C@H]2O[C@@H]3[C@@H]4C(=O)CO[C@@]3(CCN4C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2O1
InChIInChI=1S/C27H27NO7/c1-26(2)34-23-24(35-26)33-22-21-20(29)14-32-27(22,23)11-12-28(21)25(30)31-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19,21-24H,11-14H2,1-2H3/t21-,22+,23-,24+,27+/m0/s1
InChIKeyVPOOACIEIVZBFV-WVBYHWPDSA-N
MW477.51 g/mol
LogP3.22
Rot. Bonds2

About 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

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 (PubChem CID 16667541) has the molecular formula C27H27NO7 and a molecular weight of 477.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9H-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
PubChem CID16667541
Molecular FormulaC27H27NO7
Molecular Weight477.51 g/mol
Exact Mass477.18
IUPAC Name9H-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
SMILESCC1(C)O[C@H]2O[C@@H]3[C@@H]4C(=O)CO[C@@]3(CCN4C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2O1
InChIInChI=1S/C27H27NO7/c1-26(2)34-23-24(35-26)33-22-21-20(29)14-32-27(22,23)11-12-28(21)25(30)31-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19,21-24H,11-14H2,1-2H3/t21-,22+,23-,24+,27+/m0/s1
InChIKeyVPOOACIEIVZBFV-WVBYHWPDSA-N
XLogP3.22
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate
CID 141105402
9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate
CID 67617703
5-(9H-fluoren-9-ylmethoxycarbonyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylic acid
CID 85199648
(3aR,4S,6aS)-5-(9H-fluoren-9-ylmethoxycarbonyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylic acid
CID 10597631
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 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
CID 122456585
9H-fluoren-9-ylmethyl (3S)-3-acetyl-6,6-dimethyl-1,5,2-dioxazinane-2-carboxylate
CID 138965947
9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid
CID 154577043
9H-fluoren-9-ylmethyl (3aR,4R,6aS)-4-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 10646050
3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate
CID 178202346
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)O[C@H]2O[C@@H]3[C@@H]4C(=O)CO[C@@]3(CCN4C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2O1.
What is the InChIKey of 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?
The InChIKey is VPOOACIEIVZBFV-WVBYHWPDSA-N. The full InChI is InChI=1S/C27H27NO7/c1-26(2)34-23-24(35-26)33-22-21-20(29)14-32-27(22,23)11-12-28(21)25(30)31-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19,21-24H,11-14H2,1-2H3/t21-,22+,23-,24+,27+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 477.51 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 16667541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).