9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate

C22H25NO3 — CID 122456585

IUPAC9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
SMILESCC1(C)C[C@H](CO)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H25NO3/c1-22(2)11-15(12-24)23(14-22)21(25)26-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20,24H,11-14H2,1-2H3/t15-/m1/s1
InChIKeyDSQQHDPVGPZZKE-OAHLLOKOSA-N
MW351.45 g/mol
LogP4.03
Rot. Bonds3

About 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate (PubChem CID 122456585) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
PubChem CID122456585
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
SMILESCC1(C)C[C@H](CO)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H25NO3/c1-22(2)11-15(12-24)23(14-22)21(25)26-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20,24H,11-14H2,1-2H3/t15-/m1/s1
InChIKeyDSQQHDPVGPZZKE-OAHLLOKOSA-N
XLogP4.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 71305275
9H-fluoren-9-ylmethyl (2R)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-4,4-dimethylpyrrolidine-1-carboxylate
CID 122456760
9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91666990
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
(4S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 86309804
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
(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 (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate (CID 122456585) is 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate is CC1(C)C[C@H](CO)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate?
The InChIKey is DSQQHDPVGPZZKE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25NO3/c1-22(2)11-15(12-24)23(14-22)21(25)26-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20,24H,11-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 122456585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).