methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate

C10H16FNO3 — CID 70413177

IUPACmethyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](NC(C)=O)C[C@@H]1F
InChIInChI=1S/C10H16FNO3/c1-6(13)12-8-3-7(9(11)5-8)4-10(14)15-2/h7-9H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9+/m1/s1
InChIKeyXGBZMZRJMFHEIZ-HLTSFMKQSA-N
MW217.24 g/mol
LogP0.80
Rot. Bonds3

About methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate

methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate (PubChem CID 70413177) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate
PubChem CID70413177
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](NC(C)=O)C[C@@H]1F
InChIInChI=1S/C10H16FNO3/c1-6(13)12-8-3-7(9(11)5-8)4-10(14)15-2/h7-9H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9+/m1/s1
InChIKeyXGBZMZRJMFHEIZ-HLTSFMKQSA-N
XLogP0.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate (CID 70413177) is methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate is COC(=O)C[C@H]1C[C@@H](NC(C)=O)C[C@@H]1F.
What is the InChIKey of methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate?
The InChIKey is XGBZMZRJMFHEIZ-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-6(13)12-8-3-7(9(11)5-8)4-10(14)15-2/h7-9H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9+/m1/s1.
What are the key properties of methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate?
methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate has a molecular weight of 217.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2S,4R)-4-acetamido-2-fluorocyclopentyl]acetate is sourced from PubChem (CID 70413177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).