methyl (4S)-4-acetamido-5-fluoropentanoate

C8H14FNO3 — CID 13477555

IUPACmethyl (4S)-4-acetamido-5-fluoropentanoate
SMILESCOC(=O)CC[C@@H](CF)NC(C)=O
InChIInChI=1S/C8H14FNO3/c1-6(11)10-7(5-9)3-4-8(12)13-2/h7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyOWLIGTPZIXJQAY-ZETCQYMHSA-N
MW191.20 g/mol
LogP0.41
Rot. Bonds5

About methyl (4S)-4-acetamido-5-fluoropentanoate

methyl (4S)-4-acetamido-5-fluoropentanoate (PubChem CID 13477555) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is methyl (4S)-4-acetamido-5-fluoropentanoate.

Molecular Properties

Compound Namemethyl (4S)-4-acetamido-5-fluoropentanoate
PubChem CID13477555
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Namemethyl (4S)-4-acetamido-5-fluoropentanoate
SMILESCOC(=O)CC[C@@H](CF)NC(C)=O
InChIInChI=1S/C8H14FNO3/c1-6(11)10-7(5-9)3-4-8(12)13-2/h7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyOWLIGTPZIXJQAY-ZETCQYMHSA-N
XLogP0.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-acetamido-5-fluoropentanoate?
The IUPAC name of methyl (4S)-4-acetamido-5-fluoropentanoate (CID 13477555) is methyl (4S)-4-acetamido-5-fluoropentanoate.
What is the SMILES notation for methyl (4S)-4-acetamido-5-fluoropentanoate?
The canonical SMILES for methyl (4S)-4-acetamido-5-fluoropentanoate is COC(=O)CC[C@@H](CF)NC(C)=O.
What is the InChIKey of methyl (4S)-4-acetamido-5-fluoropentanoate?
The InChIKey is OWLIGTPZIXJQAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-6(11)10-7(5-9)3-4-8(12)13-2/h7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of methyl (4S)-4-acetamido-5-fluoropentanoate?
methyl (4S)-4-acetamido-5-fluoropentanoate has a molecular weight of 191.20 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-acetamido-5-fluoropentanoate is sourced from PubChem (CID 13477555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).