9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate

C21H25NO3 — CID 7019530

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c1-14(2)11-15(12-23)22-21(24)25-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20,23H,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyWXMGVJAOLIDKGZ-HNNXBMFYSA-N
MW339.44 g/mol
LogP3.93
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate (PubChem CID 7019530) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate
PubChem CID7019530
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c1-14(2)11-15(12-23)22-21(24)25-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20,23H,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyWXMGVJAOLIDKGZ-HNNXBMFYSA-N
XLogP3.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate (CID 7019530) is 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate is CC(C)C[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The InChIKey is WXMGVJAOLIDKGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14(2)11-15(12-23)22-21(24)25-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20,23H,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate has a molecular weight of 339.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 7019530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).