9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate

C21H25NO3 — CID 57368211

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
SMILESCC(C)(C)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c1-21(2,3)19(12-23)22-20(24)25-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19,23H,12-13H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyNIONQMHDFWMIPD-LJQANCHMSA-N
MW339.44 g/mol
LogP3.93
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate (PubChem CID 57368211) 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-3,3-dimethylbutan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
PubChem CID57368211
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
SMILESCC(C)(C)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c1-21(2,3)19(12-23)22-20(24)25-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19,23H,12-13H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyNIONQMHDFWMIPD-LJQANCHMSA-N
XLogP3.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-[(2R)-1-tert-butylsulfanyl-3-methylbutan-2-yl]carbamate
CID 165172999
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-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethyl-4-oxohexanoic acid
CID 103819746
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
(2R,4S)-2-tert-butyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid
CID 95048681

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate (CID 57368211) is 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-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-3,3-dimethylbutan-2-yl]carbamate?
The InChIKey is NIONQMHDFWMIPD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2,3)19(12-23)22-20(24)25-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19,23H,12-13H2,1-3H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate has a molecular weight of 339.44 g/mol, XLogP of 3.93, 4 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-3,3-dimethylbutan-2-yl]carbamate is sourced from PubChem (CID 57368211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).