9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C21H23NO4 — CID 91666990

IUPAC9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@@H](CO)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c1-21(2)22(14(11-23)12-26-21)20(24)25-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19,23H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyCIAGXVSCTOUOBO-CQSZACIVSA-N
MW353.42 g/mol
LogP3.36
Rot. Bonds3

About 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 91666990) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID91666990
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@@H](CO)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c1-21(2)22(14(11-23)12-26-21)20(24)25-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19,23H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyCIAGXVSCTOUOBO-CQSZACIVSA-N
XLogP3.36
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
benzyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67079773
3-(9H-fluoren-9-ylmethoxycarbonyl)spiro[1,3-oxazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid
CID 165444512
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937278
3-O-benzyl 2-O-(9H-fluoren-9-ylmethyl) (3S)-6,6-dimethyl-1,5,2-dioxazinane-2,3-dicarboxylate
CID 138965943
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
CID 165478738
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-5-(3,4,5-trifluorophenyl)morpholine-4-carboxylate
CID 77274859
3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 155885463

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 91666990) is 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC1(C)OC[C@@H](CO)N1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is CIAGXVSCTOUOBO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23NO4/c1-21(2)22(14(11-23)12-26-21)20(24)25-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19,23H,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 91666990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).