2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid

C24H19NO4 — CID 2756130

IUPAC2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid
SMILESO=C(O)C1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO4/c26-23(27)22-16-8-2-1-7-15(16)13-25(22)24(28)29-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14H2,(H,26,27)
InChIKeyYDLDAMFCNLVPGY-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.58
Rot. Bonds3

About 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid

2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid (PubChem CID 2756130) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid
PubChem CID2756130
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid
SMILESO=C(O)C1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO4/c26-23(27)22-16-8-2-1-7-15(16)13-25(22)24(28)29-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14H2,(H,26,27)
InChIKeyYDLDAMFCNLVPGY-UHFFFAOYSA-N
XLogP4.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid (CID 2756130) is 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid is O=C(O)C1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid?
The InChIKey is YDLDAMFCNLVPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-23(27)22-16-8-2-1-7-15(16)13-25(22)24(28)29-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14H2,(H,26,27).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid?
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid is sourced from PubChem (CID 2756130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).