4-acetamido-5,5-difluoropentanoic acid

C7H11F2NO3 — CID 13050370

IUPAC4-acetamido-5,5-difluoropentanoic acid
SMILESCC(=O)NC(CCC(=O)O)C(F)F
InChIInChI=1S/C7H11F2NO3/c1-4(11)10-5(7(8)9)2-3-6(12)13/h5,7H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyCGFLTGQENNUPSW-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.62
Rot. Bonds5

About 4-acetamido-5,5-difluoropentanoic acid

4-acetamido-5,5-difluoropentanoic acid (PubChem CID 13050370) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 4-acetamido-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name4-acetamido-5,5-difluoropentanoic acid
PubChem CID13050370
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name4-acetamido-5,5-difluoropentanoic acid
SMILESCC(=O)NC(CCC(=O)O)C(F)F
InChIInChI=1S/C7H11F2NO3/c1-4(11)10-5(7(8)9)2-3-6(12)13/h5,7H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyCGFLTGQENNUPSW-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-acetamido-5,5-difluoropentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-acetamido-5-fluoropentanoic acid
CID 13477559
(2R)-2-acetamidopentanedioic acid
CID 161394708
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
5-acetamido-4-hydroxyhexanoic acid
CID 45119565
sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802
(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
3-acetamido-4-methylpentanoic acid
CID 22460001
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
4-amino-5-fluorohexanoic acid
CID 78098113
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5,5-difluoropentanoic acid?
The IUPAC name of 4-acetamido-5,5-difluoropentanoic acid (CID 13050370) is 4-acetamido-5,5-difluoropentanoic acid.
What is the SMILES notation for 4-acetamido-5,5-difluoropentanoic acid?
The canonical SMILES for 4-acetamido-5,5-difluoropentanoic acid is CC(=O)NC(CCC(=O)O)C(F)F.
What is the InChIKey of 4-acetamido-5,5-difluoropentanoic acid?
The InChIKey is CGFLTGQENNUPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-4(11)10-5(7(8)9)2-3-6(12)13/h5,7H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-acetamido-5,5-difluoropentanoic acid?
4-acetamido-5,5-difluoropentanoic acid has a molecular weight of 195.16 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5,5-difluoropentanoic acid is sourced from PubChem (CID 13050370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).