ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate

C10H16FNO3 — CID 170580888

IUPACethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](NC(C)=O)[C@@H](F)C1
InChIInChI=1S/C10H16FNO3/c1-3-15-10(14)7-4-8(11)9(5-7)12-6(2)13/h7-9H,3-5H2,1-2H3,(H,12,13)/t7-,8+,9+/m1/s1
InChIKeyQYBDZFRWWCIZCU-VGMNWLOBSA-N
MW217.24 g/mol
LogP0.80
Rot. Bonds3

About ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate

ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate (PubChem CID 170580888) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate
PubChem CID170580888
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Nameethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](NC(C)=O)[C@@H](F)C1
InChIInChI=1S/C10H16FNO3/c1-3-15-10(14)7-4-8(11)9(5-7)12-6(2)13/h7-9H,3-5H2,1-2H3,(H,12,13)/t7-,8+,9+/m1/s1
InChIKeyQYBDZFRWWCIZCU-VGMNWLOBSA-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

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Frequently Asked Questions

What is the IUPAC name of ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate?
The IUPAC name of ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate (CID 170580888) is ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate is CCOC(=O)[C@H]1C[C@H](NC(C)=O)[C@@H](F)C1.
What is the InChIKey of ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate?
The InChIKey is QYBDZFRWWCIZCU-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-3-15-10(14)7-4-8(11)9(5-7)12-6(2)13/h7-9H,3-5H2,1-2H3,(H,12,13)/t7-,8+,9+/m1/s1.
What are the key properties of ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate?
ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate 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 ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 170580888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).