4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid

C24H21NO4 — CID 11058171

IUPAC4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO4/c1-25(14-16-10-12-17(13-11-16)23(26)27)24(28)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,26,27)
InChIKeyRCYMITTUGADOGC-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.77
Rot. Bonds5

About 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid

4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid (PubChem CID 11058171) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid
PubChem CID11058171
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO4/c1-25(14-16-10-12-17(13-11-16)23(26)27)24(28)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,26,27)
InChIKeyRCYMITTUGADOGC-UHFFFAOYSA-N
XLogP4.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid (CID 11058171) is 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid?
The InChIKey is RCYMITTUGADOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-25(14-16-10-12-17(13-11-16)23(26)27)24(28)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,26,27).
What are the key properties of 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid?
4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid has a molecular weight of 387.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid is sourced from PubChem (CID 11058171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).