8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid

C23H27NO4 — CID 2756091

IUPAC8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H27NO4/c25-22(26)14-4-2-1-3-9-15-24-23(27)28-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,1-4,9,14-16H2,(H,24,27)(H,25,26)
InChIKeyQZQXRZXYWVQWAY-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.95
Rot. Bonds10

About 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid

8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid (PubChem CID 2756091) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid.

Molecular Properties

Compound Name8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
PubChem CID2756091
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H27NO4/c25-22(26)14-4-2-1-3-9-15-24-23(27)28-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,1-4,9,14-16H2,(H,24,27)(H,25,26)
InChIKeyQZQXRZXYWVQWAY-UHFFFAOYSA-N
XLogP4.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid?
The IUPAC name of 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid (CID 2756091) is 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid.
What is the SMILES notation for 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid?
The canonical SMILES for 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid is O=C(O)CCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid?
The InChIKey is QZQXRZXYWVQWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c25-22(26)14-4-2-1-3-9-15-24-23(27)28-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,1-4,9,14-16H2,(H,24,27)(H,25,26).
What are the key properties of 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid?
8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid has a molecular weight of 381.47 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid is sourced from PubChem (CID 2756091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).