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

C24H27NO6 — CID 10646050

IUPAC9H-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
SMILESCC1(C)O[C@@H]2[C@@H]([C@@H](O)CO)N(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2O1
InChIInChI=1S/C24H27NO6/c1-24(2)30-20-11-25(21(19(27)12-26)22(20)31-24)23(28)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-22,26-27H,11-13H2,1-2H3/t19-,20-,21+,22-/m0/s1
InChIKeyPBPFPRFGNGZLQF-KJJMTIBFSA-N
MW425.48 g/mol
LogP2.49
Rot. Bonds4

About 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

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 (PubChem CID 10646050) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9H-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
PubChem CID10646050
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name9H-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
SMILESCC1(C)O[C@@H]2[C@@H]([C@@H](O)CO)N(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2O1
InChIInChI=1S/C24H27NO6/c1-24(2)30-20-11-25(21(19(27)12-26)22(20)31-24)23(28)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-22,26-27H,11-13H2,1-2H3/t19-,20-,21+,22-/m0/s1
InChIKeyPBPFPRFGNGZLQF-KJJMTIBFSA-N
XLogP2.49
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
benzyl (3aR,4R,6aS)-4-[(1S,2R)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 11304394
9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
CID 59073402
benzyl (3aR,4S,6aS)-4-formyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 11460924
9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
CID 122456585
9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
9H-fluoren-9-ylmethyl 3-hydroxy-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67049085
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
(4S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 86309804
(2R,3S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydroxypyrrolidine-2-carboxylic acid
CID 154853066

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)O[C@@H]2[C@@H]([C@@H](O)CO)N(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2O1.
What is the InChIKey of 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?
The InChIKey is PBPFPRFGNGZLQF-KJJMTIBFSA-N. The full InChI is InChI=1S/C24H27NO6/c1-24(2)30-20-11-25(21(19(27)12-26)22(20)31-24)23(28)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-22,26-27H,11-13H2,1-2H3/t19-,20-,21+,22-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 425.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10646050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).