9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate

C25H29NO5 — CID 67442705

IUPAC9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)(C)O[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C25H29NO5/c1-25(2,3)31-21-12-26(22-20(27)14-29-23(21)22)24(28)30-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-23,27H,12-14H2,1-3H3/t20-,21+,22+,23+/m0/s1
InChIKeyVMSGNLMMSDMSMA-WBADGQHESA-N
MW423.51 g/mol
LogP3.56
Rot. Bonds3

About 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate

9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate (PubChem CID 67442705) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
PubChem CID67442705
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)(C)O[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C25H29NO5/c1-25(2,3)31-21-12-26(22-20(27)14-29-23(21)22)24(28)30-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-23,27H,12-14H2,1-3H3/t20-,21+,22+,23+/m0/s1
InChIKeyVMSGNLMMSDMSMA-WBADGQHESA-N
XLogP3.56
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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 (3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67441228
9H-fluoren-9-ylmethyl 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67441229
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
CID 6957980
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1,2-dicarboxylate
CID 153296870
(2S)-4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 54183247
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-2-carboxylic acid
CID 2756149
2-[(2R,5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-methylmorpholin-2-yl]acetic acid
CID 170914115
3-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-4-carboxylic acid
CID 17040140
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate (CID 67442705) is 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate is CC(C)(C)O[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2[C@@H]1OC[C@@H]2O.
What is the InChIKey of 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate?
The InChIKey is VMSGNLMMSDMSMA-WBADGQHESA-N. The full InChI is InChI=1S/C25H29NO5/c1-25(2,3)31-21-12-26(22-20(27)14-29-23(21)22)24(28)30-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-23,27H,12-14H2,1-3H3/t20-,21+,22+,23+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate?
9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate is sourced from PubChem (CID 67442705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).