9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate

C21H25NO3 — CID 57359373

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
SMILESCCCC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c1-2-3-8-15(13-23)22-21(24)25-14-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,15,20,23H,2-3,8,13-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyYYQSZDIVCKUVDT-HNNXBMFYSA-N
MW339.44 g/mol
LogP4.08
Rot. Bonds7

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

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate (PubChem CID 57359373) 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-hydroxyhexan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
PubChem CID57359373
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
SMILESCCCC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c1-2-3-8-15(13-23)22-21(24)25-14-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,15,20,23H,2-3,8,13-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyYYQSZDIVCKUVDT-HNNXBMFYSA-N
XLogP4.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate 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 N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 59837877
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-4-phenylbutan-2-yl]carbamate
CID 155904032
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
9H-fluoren-9-ylmethyl N-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51340618
(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid
CID 165461568
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate (CID 57359373) is 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate is CCCC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The InChIKey is YYQSZDIVCKUVDT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-3-8-15(13-23)22-21(24)25-14-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,15,20,23H,2-3,8,13-14H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate has a molecular weight of 339.44 g/mol, XLogP of 4.08, 7 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-hydroxyhexan-2-yl]carbamate is sourced from PubChem (CID 57359373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).