N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide

C9H16FNO2 — CID 146282605

IUPACN-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(O)[C@H](F)[C@H]1C
InChIInChI=1S/C9H16FNO2/c1-5-7(4-11-6(2)12)3-8(13)9(5)10/h5,7-9,13H,3-4H2,1-2H3,(H,11,12)/t5-,7+,8?,9+/m0/s1
InChIKeySWBWGMOAHUHUOG-SESBGLRUSA-N
MW189.23 g/mol
LogP0.48
Rot. Bonds2

About N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide

N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide (PubChem CID 146282605) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide
PubChem CID146282605
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(O)[C@H](F)[C@H]1C
InChIInChI=1S/C9H16FNO2/c1-5-7(4-11-6(2)12)3-8(13)9(5)10/h5,7-9,13H,3-4H2,1-2H3,(H,11,12)/t5-,7+,8?,9+/m0/s1
InChIKeySWBWGMOAHUHUOG-SESBGLRUSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide?
The IUPAC name of N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide (CID 146282605) is N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide.
What is the SMILES notation for N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide?
The canonical SMILES for N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide is CC(=O)NC[C@H]1CC(O)[C@H](F)[C@H]1C.
What is the InChIKey of N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide?
The InChIKey is SWBWGMOAHUHUOG-SESBGLRUSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-5-7(4-11-6(2)12)3-8(13)9(5)10/h5,7-9,13H,3-4H2,1-2H3,(H,11,12)/t5-,7+,8?,9+/m0/s1.
What are the key properties of N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide?
N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide has a molecular weight of 189.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,3R)-3-fluoro-4-hydroxy-2-methylcyclopentyl]methyl]acetamide is sourced from PubChem (CID 146282605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).