[(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate

C₁₀H₁₇F₂NO₂ — CID 68708920

About [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate

[(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate (PubChem CID 68708920) has the molecular formula C₁₀H₁₇F₂NO₂ and a molecular weight of 221.25 g/mol. Its IUPAC name is [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate.

Molecular Properties

• Compound Name: [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate
• PubChem CID: 68708920
• Molecular Formula: C₁₀H₁₇F₂NO₂
• Molecular Weight: 221.25 g/mol
• Exact Mass: 221.12
• IUPAC Name: [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate
• SMILES: CC(=O)OC[C@@H](N)CC1C[C@@H](F)[C@@H](F)C1
• InChI: InChI=1S/C10H17F2NO2/c1-6(14)15-5-8(13)2-7-3-9(11)10(12)4-7/h7-10H,2-5,13H2,1H3/t7?,8-,9-,10+/m0/s1
• InChIKey: RXDILRCKNHCDSA-JVSARINNSA-N
• XLogP: 1.35
• TPSA: 52.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.25
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate?

The IUPAC name of [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate (CID 68708920) is [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate.

What is the SMILES notation for [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate?

The canonical SMILES for [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate is CC(=O)OC[C@@H](N)CC1C[C@@H](F)[C@@H](F)C1.

What is the InChIKey of [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate?

The InChIKey is RXDILRCKNHCDSA-JVSARINNSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-6(14)15-5-8(13)2-7-3-9(11)10(12)4-7/h7-10H,2-5,13H2,1H3/t7?,8-,9-,10+/m0/s1.

What are the key properties of [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate?

[(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate has a molecular weight of 221.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate is sourced from PubChem (CID 68708920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 68708920 — identifiers, structure, computed properties (public domain)

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