9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate

C21H25NO3 — CID 67056933

IUPAC9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate
SMILESNCCCCCC(O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c22-13-7-1-2-12-20(23)21(24)25-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20,23H,1-2,7,12-14,22H2
InChIKeySSHMLSHFGIJYGR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds8

About 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate

9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate (PubChem CID 67056933) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate
PubChem CID67056933
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate
SMILESNCCCCCC(O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c22-13-7-1-2-12-20(23)21(24)25-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20,23H,1-2,7,12-14,22H2
InChIKeySSHMLSHFGIJYGR-UHFFFAOYSA-N
XLogP3.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate (CID 67056933) is 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate is NCCCCCC(O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate?
The InChIKey is SSHMLSHFGIJYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c22-13-7-1-2-12-20(23)21(24)25-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20,23H,1-2,7,12-14,22H2.
What are the key properties of 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate?
9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate has a molecular weight of 339.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 7-amino-2-hydroxyheptanoate is sourced from PubChem (CID 67056933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).