bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate

C32H27NO4 — CID 11511488

IUPACbis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H27NO4/c33-30(32(35)37-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29)17-31(34)36-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28/h1-16,28-30H,17-19,33H2/t30-/m0/s1
InChIKeyTUZFXEDFDAVZRF-PMERELPUSA-N
MW489.57 g/mol
LogP5.42
Rot. Bonds7

About bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate

bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate (PubChem CID 11511488) has the molecular formula C32H27NO4 and a molecular weight of 489.57 g/mol. Its IUPAC name is bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate.

Molecular Properties

Compound Namebis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
PubChem CID11511488
Molecular FormulaC32H27NO4
Molecular Weight489.57 g/mol
Exact Mass489.19
IUPAC Namebis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H27NO4/c33-30(32(35)37-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29)17-31(34)36-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28/h1-16,28-30H,17-19,33H2/t30-/m0/s1
InChIKeyTUZFXEDFDAVZRF-PMERELPUSA-N
XLogP5.42
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.57
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate
CID 98105588
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate
CID 57365284
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 147470453
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-(sulfanylmethyl)butanoic acid
CID 157199768
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663

Frequently Asked Questions

What is the IUPAC name of bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate?
The IUPAC name of bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate (CID 11511488) is bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate.
What is the SMILES notation for bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate?
The canonical SMILES for bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate is N[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate?
The InChIKey is TUZFXEDFDAVZRF-PMERELPUSA-N. The full InChI is InChI=1S/C32H27NO4/c33-30(32(35)37-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29)17-31(34)36-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28/h1-16,28-30H,17-19,33H2/t30-/m0/s1.
What are the key properties of bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate?
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate has a molecular weight of 489.57 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate is sourced from PubChem (CID 11511488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).