9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate

C24H17NO4 — CID 8926526

IUPAC9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@@H](C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H17NO4/c1-14(25-22(26)19-12-6-7-13-20(19)23(25)27)24(28)29-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h2-14,21H,1H3/t14-/m0/s1
InChIKeyUJKOINYEVUGQQP-AWEZNQCLSA-N
MW383.40 g/mol
LogP3.98
Rot. Bonds3

About 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate

9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 8926526) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID8926526
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@@H](C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H17NO4/c1-14(25-22(26)19-12-6-7-13-20(19)23(25)27)24(28)29-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h2-14,21H,1H3/t14-/m0/s1
InChIKeyUJKOINYEVUGQQP-AWEZNQCLSA-N
XLogP3.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
ethenyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 693846
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926563
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926560
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597192
(4-cyanophenyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3421526
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926307
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597534
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2788098
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate (CID 8926526) is 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate is C[C@@H](C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is UJKOINYEVUGQQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H17NO4/c1-14(25-22(26)19-12-6-7-13-20(19)23(25)27)24(28)29-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h2-14,21H,1H3/t14-/m0/s1.
What are the key properties of 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate?
9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 383.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 8926526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).