9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate

C24H28FNO4 — CID 158290286

IUPAC9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
SMILESC[C@H](OC(C)(C)C)[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F
InChIInChI=1S/C24H28FNO4/c1-15(30-23(2,3)4)24(5,21(25)27)26-22(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20H,14H2,1-5H3,(H,26,28)/t15-,24-/m0/s1
InChIKeyAQUOASJFWKNDCF-OWJWWREXSA-N
MW413.49 g/mol
LogP4.98
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate (PubChem CID 158290286) has the molecular formula C24H28FNO4 and a molecular weight of 413.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
PubChem CID158290286
Molecular FormulaC24H28FNO4
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
SMILESC[C@H](OC(C)(C)C)[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F
InChIInChI=1S/C24H28FNO4/c1-15(30-23(2,3)4)24(5,21(25)27)26-22(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20H,14H2,1-5H3,(H,26,28)/t15-,24-/m0/s1
InChIKeyAQUOASJFWKNDCF-OWJWWREXSA-N
XLogP4.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
CID 155270949
9H-fluoren-9-ylmethyl N-(1-fluoro-2-methyl-1-oxobutan-2-yl)carbamate
CID 10315254
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 149150407
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 170899056
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 69328330
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluoro-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 102153921
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 56777312
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate (CID 158290286) is 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate is C[C@H](OC(C)(C)C)[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate?
The InChIKey is AQUOASJFWKNDCF-OWJWWREXSA-N. The full InChI is InChI=1S/C24H28FNO4/c1-15(30-23(2,3)4)24(5,21(25)27)26-22(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20H,14H2,1-5H3,(H,26,28)/t15-,24-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate has a molecular weight of 413.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 158290286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).