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Fmoc-protected amine

Athanor · official

C15H13NO2 · 239.27 g/mol

IUPAC name: 9H-fluoren-9-ylmethyl carbamate

Also called Fmoc, NHFmoc, fluorenylmethyloxycarbonyl, solid phase peptide synthesis

Protecting groups
Open in Athanor
The structure of Fmoc-protected amine
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
9H-fluoren-9-ylmethyl carbamate
Synonyms
Fmoc, NHFmoc, fluorenylmethyloxycarbonyl
+ 40 more

solid phase peptide synthesis, 9-Fluorenylmethyl carbamate, DTXSID00352990, RefChem:1074974, DTXCID40304054, Fmoc-NH2, 9H-fluoren-9-ylmethyl carbamate, Fmoc-amide, MFCD00237376, Fmoc amine, (9h-fluoren-9-yl)methyl carbamate, FMOC-amine, N-(9-Fluorenylmethoxycarbonyl)amide, 9H-Fluorene-9-methanol, 9-carbamate, SCHEMBL113270, SCHEMBL2192202, Carbamic Acid 9-Fluorenylmethyl Ester, SY019088, M02862, 9-Fluorenylmethylcarbamate, VP1, ZZOKVYOCRSMTSS-UH, AM20041234, fluoren-9-ylmethyl aminooate, SCHEMBL425741, orb2665255, SCHEMBL29362617, SCHEMBL30042128, ZZOKVYOCRSMTSS-UHFFFAOYSA-N, 9-Fluorenyl-methyl-carbamate, 98%, (9H-Fluoren-9-ylmethoxy)carboxamide, AC1112, AKOS015907601, CS-W016703, AS-17607, DB-029405, F0689, ST51016048, 9-Fluorenylmethyl carbamate, >=99.0% (HPLC), T200375

Molecular formula
C15H13NO2
Empirical formula
C15H12*NO2
Molecular weight
239.27 g/mol
Exact mass
239.09463
CAS number
84418-43-9
PubChem CID
736301
Canonical SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N
Isomeric SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N
InChI
InChI=1S/C15H13NO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H2,16,17)
InChIKey
ZZOKVYOCRSMTSS-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
18
Rings
3
Aromatic rings
2
Fraction sp³ carbons (Fsp3)
0.13
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2 computed here · PubChem 3
TPSA (Ų)
38.3 computed here · PubChem 52.3
Formal charge
0
XLogP3
2.7 PubChem
Complexity
296 PubChem
Stereocenters
None
Double-bond geometry
None specified

Elemental analysis

  • C75.62%
  • H5.08%
  • *0.00%
  • N5.88%
  • O13.43%

Isotope pattern

100%238.08717%239.0901.7%240.093241.095

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
2.99 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-3.56 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.53 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 238.27
  • log P ≤ 5 (Crippen): 2.99
  • H-bond donors ≤ 5: 1
  • H-bond acceptors ≤ 10: 2

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: Cooke Chemical Co., Ltd, Synthonix, Inc., Angene Chemical.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  2. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  3. ·Literature on PubChem

Data last updated 2026-10-14.