2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid

C26H33NO4 — CID 170881764

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid
SMILESCC(CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)CC(C)(C)C
InChIInChI=1S/C26H33NO4/c1-17(15-26(2,3)4)13-14-23(24(28)29)27-25(30)31-16-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,17,22-23H,13-16H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyFTRNRIHDULZFFA-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.83
Rot. Bonds8

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid (PubChem CID 170881764) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid
PubChem CID170881764
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid
SMILESCC(CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)CC(C)(C)C
InChIInChI=1S/C26H33NO4/c1-17(15-26(2,3)4)13-14-23(24(28)29)27-25(30)31-16-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,17,22-23H,13-16H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyFTRNRIHDULZFFA-UHFFFAOYSA-N
XLogP5.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-4-methylpentanoic acid
CID 96581934
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxy-5-methylhexanoic acid
CID 103033871
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-dimethylhex-5-enoic acid
CID 138987577
(2S)-5-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
CID 171702819
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5,5-trifluoropentanoic acid
CID 22849769
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-ylsulfanylbutanoic acid
CID 103667494
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxy-6-phenylhexanoic acid
CID 90091636
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethyl-4-oxohexanoic acid
CID 103819746
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]hexanoic acid
CID 124522591
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;hydrate
CID 71317335
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid (CID 170881764) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid is CC(CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)CC(C)(C)C.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid?
The InChIKey is FTRNRIHDULZFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-17(15-26(2,3)4)13-14-23(24(28)29)27-25(30)31-16-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,17,22-23H,13-16H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid has a molecular weight of 423.55 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7,7-trimethyloctanoic acid is sourced from PubChem (CID 170881764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).