4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid

C24H23NO4 — CID 67744441

IUPAC4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid
SMILESNc1ccc(C(=O)O)cc1.O=C(O)CCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O2.C7H7NO2/c18-17(19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16;8-6-3-1-5(2-4-6)7(9)10/h1-4,6-9,16H,5,10-11H2,(H,18,19);1-4H,8H2,(H,9,10)
InChIKeyYZMAUBMXGOSIDN-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.02
Rot. Bonds5

About 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid

4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid (PubChem CID 67744441) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid.

Molecular Properties

Compound Name4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid
PubChem CID67744441
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid
SMILESNc1ccc(C(=O)O)cc1.O=C(O)CCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O2.C7H7NO2/c18-17(19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16;8-6-3-1-5(2-4-6)7(9)10/h1-4,6-9,16H,5,10-11H2,(H,18,19);1-4H,8H2,(H,9,10)
InChIKeyYZMAUBMXGOSIDN-UHFFFAOYSA-N
XLogP5.02
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid?
The IUPAC name of 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid (CID 67744441) is 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid.
What is the SMILES notation for 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid?
The canonical SMILES for 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid is Nc1ccc(C(=O)O)cc1.O=C(O)CCCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid?
The InChIKey is YZMAUBMXGOSIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2.C7H7NO2/c18-17(19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16;8-6-3-1-5(2-4-6)7(9)10/h1-4,6-9,16H,5,10-11H2,(H,18,19);1-4H,8H2,(H,9,10).
What are the key properties of 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid?
4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid has a molecular weight of 389.45 g/mol, XLogP of 5.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid is sourced from PubChem (CID 67744441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).