4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid

C21H15NO4 — CID 10066137

IUPAC4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO4/c23-20(24)13-9-11-14(12-10-13)22-21(25)26-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H,22,25)(H,23,24)
InChIKeyUTOMNTXVLABUAH-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.70
Rot. Bonds3

About 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid

4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid (PubChem CID 10066137) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid
PubChem CID10066137
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO4/c23-20(24)13-9-11-14(12-10-13)22-21(25)26-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H,22,25)(H,23,24)
InChIKeyUTOMNTXVLABUAH-UHFFFAOYSA-N
XLogP4.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.70
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-yloxycarbonylamino)benzoic acid?
The IUPAC name of 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid (CID 10066137) is 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid?
The canonical SMILES for 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid is O=C(Nc1ccc(C(=O)O)cc1)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid?
The InChIKey is UTOMNTXVLABUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-20(24)13-9-11-14(12-10-13)22-21(25)26-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H,22,25)(H,23,24).
What are the key properties of 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid?
4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid has a molecular weight of 345.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid is sourced from PubChem (CID 10066137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).