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

C10H17F2NO2 — CID 68708920

IUPAC[(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate
SMILESCC(=O)OC[C@@H](N)CC1C[C@@H](F)[C@@H](F)C1
InChIInChI=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
InChIKeyRXDILRCKNHCDSA-JVSARINNSA-N
MW221.25 g/mol
LogP1.35
Rot. Bonds4

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 CID68708920
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name[(2S)-2-amino-3-[(3R,4S)-3,4-difluorocyclopentyl]propyl] acetate
SMILESCC(=O)OC[C@@H](N)CC1C[C@@H](F)[C@@H](F)C1
InChIInChI=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
InChIKeyRXDILRCKNHCDSA-JVSARINNSA-N
XLogP1.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).