[(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate

C20H20FNO4 — CID 10360962

IUPAC[(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate
SMILESN[C@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)[C@@H]1F
InChIInChI=1S/C20H20FNO4/c21-18-15(12-25-19(23)13-7-3-1-4-8-13)17(11-16(18)22)26-20(24)14-9-5-2-6-10-14/h1-10,15-18H,11-12,22H2/t15-,16+,17+,18+/m1/s1
InChIKeyOGZONFMMJHFMCY-OWSLCNJRSA-N
MW357.38 g/mol
LogP2.75
Rot. Bonds5

About [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate

[(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate (PubChem CID 10360962) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate.

Molecular Properties

Compound Name[(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate
PubChem CID10360962
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate
SMILESN[C@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)[C@@H]1F
InChIInChI=1S/C20H20FNO4/c21-18-15(12-25-19(23)13-7-3-1-4-8-13)17(11-16(18)22)26-20(24)14-9-5-2-6-10-14/h1-10,15-18H,11-12,22H2/t15-,16+,17+,18+/m1/s1
InChIKeyOGZONFMMJHFMCY-OWSLCNJRSA-N
XLogP2.75
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate?
The IUPAC name of [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate (CID 10360962) is [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate.
What is the SMILES notation for [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate?
The canonical SMILES for [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate is N[C@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)[C@@H]1F.
What is the InChIKey of [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate?
The InChIKey is OGZONFMMJHFMCY-OWSLCNJRSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-18-15(12-25-19(23)13-7-3-1-4-8-13)17(11-16(18)22)26-20(24)14-9-5-2-6-10-14/h1-10,15-18H,11-12,22H2/t15-,16+,17+,18+/m1/s1.
What are the key properties of [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate?
[(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate has a molecular weight of 357.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S,5S)-3-amino-5-benzoyloxy-2-fluorocyclopentyl]methyl benzoate is sourced from PubChem (CID 10360962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).