(4S)-4-acetamido-5-fluoropentanoic acid

C7H12FNO3 — CID 13477559

IUPAC(4S)-4-acetamido-5-fluoropentanoic acid
SMILESCC(=O)N[C@H](CF)CCC(=O)O
InChIInChI=1S/C7H12FNO3/c1-5(10)9-6(4-8)2-3-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyAIUSAZBFZFMFLX-LURJTMIESA-N
MW177.17 g/mol
LogP0.33
Rot. Bonds5

About (4S)-4-acetamido-5-fluoropentanoic acid

(4S)-4-acetamido-5-fluoropentanoic acid (PubChem CID 13477559) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is (4S)-4-acetamido-5-fluoropentanoic acid.

Molecular Properties

Compound Name(4S)-4-acetamido-5-fluoropentanoic acid
PubChem CID13477559
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(4S)-4-acetamido-5-fluoropentanoic acid
SMILESCC(=O)N[C@H](CF)CCC(=O)O
InChIInChI=1S/C7H12FNO3/c1-5(10)9-6(4-8)2-3-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyAIUSAZBFZFMFLX-LURJTMIESA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetamido-5-fluoropentanoic acid?
The IUPAC name of (4S)-4-acetamido-5-fluoropentanoic acid (CID 13477559) is (4S)-4-acetamido-5-fluoropentanoic acid.
What is the SMILES notation for (4S)-4-acetamido-5-fluoropentanoic acid?
The canonical SMILES for (4S)-4-acetamido-5-fluoropentanoic acid is CC(=O)N[C@H](CF)CCC(=O)O.
What is the InChIKey of (4S)-4-acetamido-5-fluoropentanoic acid?
The InChIKey is AIUSAZBFZFMFLX-LURJTMIESA-N. The full InChI is InChI=1S/C7H12FNO3/c1-5(10)9-6(4-8)2-3-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (4S)-4-acetamido-5-fluoropentanoic acid?
(4S)-4-acetamido-5-fluoropentanoic acid has a molecular weight of 177.17 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetamido-5-fluoropentanoic acid is sourced from PubChem (CID 13477559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).