N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide

C10H18FNO3 — CID 165084162

IUPACN-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide
SMILESCCC1OC(O)[C@@H](NC(C)=O)C(C)[C@@H]1F
InChIInChI=1S/C10H18FNO3/c1-4-7-8(11)5(2)9(10(14)15-7)12-6(3)13/h5,7-10,14H,4H2,1-3H3,(H,12,13)/t5?,7?,8-,9-,10?/m0/s1
InChIKeyVPLPOOZIVBGHNR-RRGHXVLVSA-N
MW219.26 g/mol
LogP0.59
Rot. Bonds2

About N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide

N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide (PubChem CID 165084162) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide
PubChem CID165084162
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC NameN-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide
SMILESCCC1OC(O)[C@@H](NC(C)=O)C(C)[C@@H]1F
InChIInChI=1S/C10H18FNO3/c1-4-7-8(11)5(2)9(10(14)15-7)12-6(3)13/h5,7-10,14H,4H2,1-3H3,(H,12,13)/t5?,7?,8-,9-,10?/m0/s1
InChIKeyVPLPOOZIVBGHNR-RRGHXVLVSA-N
XLogP0.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10466144
N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide
CID 7761458
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide
CID 158768916
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 20760803
N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 71079558
N-[(3R,4R,5R,6R)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138493410

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide (CID 165084162) is N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide is CCC1OC(O)[C@@H](NC(C)=O)C(C)[C@@H]1F.
What is the InChIKey of N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide?
The InChIKey is VPLPOOZIVBGHNR-RRGHXVLVSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-4-7-8(11)5(2)9(10(14)15-7)12-6(3)13/h5,7-10,14H,4H2,1-3H3,(H,12,13)/t5?,7?,8-,9-,10?/m0/s1.
What are the key properties of N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide?
N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide has a molecular weight of 219.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-6-ethyl-5-fluoro-2-hydroxy-4-methyloxan-3-yl]acetamide is sourced from PubChem (CID 165084162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).