9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate

C20H23NO3 — CID 132580669

IUPAC9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
SMILESCC(C)(C)[C@H](O)CNC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO3/c1-20(2,3)17(22)12-21-19(23)24-18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,17-18,22H,12H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyMYJJJKXJIQCJLT-QGZVFWFLSA-N
MW325.41 g/mol
LogP3.89
Rot. Bonds3

About 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate

9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate (PubChem CID 132580669) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
PubChem CID132580669
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
SMILESCC(C)(C)[C@H](O)CNC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO3/c1-20(2,3)17(22)12-21-19(23)24-18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,17-18,22H,12H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyMYJJJKXJIQCJLT-QGZVFWFLSA-N
XLogP3.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
9H-fluoren-9-yl N-but-3-en-2-ylcarbamate
CID 175278848
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
CID 111430906
4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid
CID 134510783
9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate
CID 90334145
ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane
CID 159037890
9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride
CID 172594673
9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
CID 8524888
9H-fluoren-9-yl propyl carbonate
CID 175604366
2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
CID 168751618
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate?
The IUPAC name of 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate (CID 132580669) is 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate is CC(C)(C)[C@H](O)CNC(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate?
The InChIKey is MYJJJKXJIQCJLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)17(22)12-21-19(23)24-18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,17-18,22H,12H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate?
9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate is sourced from PubChem (CID 132580669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).