9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate

C19H21NO3 — CID 53397686

IUPAC9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
SMILESCC(CO)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO3/c1-13(11-21)10-20-19(22)23-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18,21H,10-12H2,1H3,(H,20,22)
InChIKeyYWNRRDUADLHCJI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.15
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate

9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate (PubChem CID 53397686) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
PubChem CID53397686
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
SMILESCC(CO)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO3/c1-13(11-21)10-20-19(22)23-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18,21H,10-12H2,1H3,(H,20,22)
InChIKeyYWNRRDUADLHCJI-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate
CID 161493438
methyl (3S)-3-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 11784622
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 143718810

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate (CID 53397686) is 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate is CC(CO)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate?
The InChIKey is YWNRRDUADLHCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(11-21)10-20-19(22)23-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18,21H,10-12H2,1H3,(H,20,22).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate?
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.15, 5 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-(3-hydroxy-2-methylpropyl)carbamate is sourced from PubChem (CID 53397686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).