6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

C21H23NO4 — CID 2756087

IUPAC6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c23-20(24)12-2-1-7-13-22-21(25)26-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14H2,(H,22,25)(H,23,24)
InChIKeyFPCPONSZWYDXRD-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.17
Rot. Bonds8

About 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid (PubChem CID 2756087) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
PubChem CID2756087
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c23-20(24)12-2-1-7-13-22-21(25)26-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14H2,(H,22,25)(H,23,24)
InChIKeyFPCPONSZWYDXRD-UHFFFAOYSA-N
XLogP4.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.17
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 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The IUPAC name of 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid (CID 2756087) is 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The InChIKey is FPCPONSZWYDXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(24)12-2-1-7-13-22-21(25)26-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14H2,(H,22,25)(H,23,24).
What are the key properties of 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid has a molecular weight of 353.42 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 2756087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).