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

C23H19NO4 — CID 2756083

IUPAC4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKeyJRHUROPSUJVMNH-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.42
Rot. Bonds5

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

4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid (PubChem CID 2756083) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid
PubChem CID2756083
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKeyJRHUROPSUJVMNH-UHFFFAOYSA-N
XLogP4.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid?
The IUPAC name of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid (CID 2756083) is 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid is O=C(NCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid?
The InChIKey is JRHUROPSUJVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid?
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid has a molecular weight of 373.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid is sourced from PubChem (CID 2756083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).