1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid

C24H19NO4 — CID 63404851

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO4/c26-23(27)16-9-10-22-15(13-16)11-12-25(22)24(28)29-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,13,21H,11-12,14H2,(H,26,27)
InChIKeyWMJWMIQUNMXTGK-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.70
Rot. Bonds3

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 63404851) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID63404851
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO4/c26-23(27)16-9-10-22-15(13-16)11-12-25(22)24(28)29-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,13,21H,11-12,14H2,(H,26,27)
InChIKeyWMJWMIQUNMXTGK-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid
CID 155970936
9H-fluoren-9-ylmethyl 5-[[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 166348156
(3R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3-methyl-1,3-dihydroisoindole-5-carboxylic acid
CID 175654013
9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 177172610
(1R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 86309425
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,2-dimethyl-3-oxo-4H-quinoxaline-6-carboxylic acid
CID 167723833
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
3-(9H-fluoren-9-ylmethoxycarbonyl)-1-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-8-carboxylic acid
CID 91067962
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-3,3-difluoropropanoic acid
CID 167724441
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybenzoic acid
CID 22569049
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 63404851) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is WMJWMIQUNMXTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-23(27)16-9-10-22-15(13-16)11-12-25(22)24(28)29-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,13,21H,11-12,14H2,(H,26,27).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 63404851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).