3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid

C7H12F2N2O3 — CID 20508354

IUPAC3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid
SMILESCC(N)C(=O)NC(CC(=O)O)C(F)F
InChIInChI=1S/C7H12F2N2O3/c1-3(10)7(14)11-4(6(8)9)2-5(12)13/h3-4,6H,2,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyOEYFUZKNZIZDGQ-UHFFFAOYSA-N
MW210.18 g/mol
LogP-0.44
Rot. Bonds5

About 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid

3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid (PubChem CID 20508354) has the molecular formula C7H12F2N2O3 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid.

Molecular Properties

Compound Name3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid
PubChem CID20508354
Molecular FormulaC7H12F2N2O3
Molecular Weight210.18 g/mol
Exact Mass210.08
IUPAC Name3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid
SMILESCC(N)C(=O)NC(CC(=O)O)C(F)F
InChIInChI=1S/C7H12F2N2O3/c1-3(10)7(14)11-4(6(8)9)2-5(12)13/h3-4,6H,2,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyOEYFUZKNZIZDGQ-UHFFFAOYSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-acetamidopropanoic acid
CID 12760440
2-Amino-3-acetamidopropanoic acid
CID 12760439
H-Ala-Beta-Ala-OH
CID 14602335
3-(2-Aminopropanoylamino)propanoic acid
CID 4670733
3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
CID 11949364
(2R)-3-acetamido-2-aminopropanoic acid
CID 146074264
2-(Trifluoroacetamido)butanoic acid
CID 22592668
3-(propanoylamino)-L-alanine
CID 10725648
3-(Trifluoroacetamido)butanoic acid
CID 13880529
2-Acetamido-4,4,4-trifluorobutanoic acid
CID 14132853
3-[(2-Aminoacetyl)amino]-2-fluorobutanoic acid
CID 19905130
3-(2-Aminopropanoylamino)-4-fluorobutanoic acid
CID 20508327

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid?
The IUPAC name of 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid (CID 20508354) is 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid.
What is the SMILES notation for 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid?
The canonical SMILES for 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid is CC(N)C(=O)NC(CC(=O)O)C(F)F.
What is the InChIKey of 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid?
The InChIKey is OEYFUZKNZIZDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O3/c1-3(10)7(14)11-4(6(8)9)2-5(12)13/h3-4,6H,2,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid?
3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid has a molecular weight of 210.18 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropanoylamino)-4,4-difluorobutanoic acid is sourced from PubChem (CID 20508354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).