4-acetamido-5-fluoropentanoic acid

C7H12FNO3 — CID 13477558

IUPAC4-acetamido-5-fluoropentanoic acid
SMILESCC(=O)NC(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)
InChIKeyAIUSAZBFZFMFLX-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.33
Rot. Bonds5

About 4-acetamido-5-fluoropentanoic acid

4-acetamido-5-fluoropentanoic acid (PubChem CID 13477558) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-acetamido-5-fluoropentanoic acid.

Molecular Properties

Compound Name4-acetamido-5-fluoropentanoic acid
PubChem CID13477558
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4-acetamido-5-fluoropentanoic acid
SMILESCC(=O)NC(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)
InChIKeyAIUSAZBFZFMFLX-UHFFFAOYSA-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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Related Compounds

4-Acetamidobutyric acid
CID 18189
2-Acetamidopentanoic acid
CID 306106
N-Acetyl-L-norvaline
CID 5708661
4-(Isopropylamino)-4-oxobutanoic acid
CID 245007
N-acetyl-trifluoronorvaline
CID 54205847
3-Acetamidocyclobutane-1-carboxylic acid
CID 68221108
4-(2,2,2-Trifluoroacetamido)butanoic acid
CID 303592
2-[(2,2,2-Trifluoroacetyl)amino]pentanoic acid
CID 328219
N-Acetyl-D-Norvaline
CID 2775812
N-s-butylsuccinamic acid
CID 16642041
(2S)-2-[(2-deuterioacetyl)amino]pentanoic acid
CID 21969271
4-(Methylamino)pentanoic acid
CID 22714598

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-fluoropentanoic acid?
The IUPAC name of 4-acetamido-5-fluoropentanoic acid (CID 13477558) is 4-acetamido-5-fluoropentanoic acid.
What is the SMILES notation for 4-acetamido-5-fluoropentanoic acid?
The canonical SMILES for 4-acetamido-5-fluoropentanoic acid is CC(=O)NC(CF)CCC(=O)O.
What is the InChIKey of 4-acetamido-5-fluoropentanoic acid?
The InChIKey is AIUSAZBFZFMFLX-UHFFFAOYSA-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).
What are the key properties of 4-acetamido-5-fluoropentanoic acid?
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 4-acetamido-5-fluoropentanoic acid is sourced from PubChem (CID 13477558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).