4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid

C8H14F2N2O3 — CID 20543324

IUPAC4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid
SMILESCC(N)C(=O)NC(CCC(=O)O)C(F)F
InChIInChI=1S/C8H14F2N2O3/c1-4(11)8(15)12-5(7(9)10)2-3-6(13)14/h4-5,7H,2-3,11H2,1H3,(H,12,15)(H,13,14)
InChIKeySZGAESMZUKVUKJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP-0.05
Rot. Bonds6

About 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid

4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid (PubChem CID 20543324) has the molecular formula C8H14F2N2O3 and a molecular weight of 224.21 g/mol. Its IUPAC name is 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid
PubChem CID20543324
Molecular FormulaC8H14F2N2O3
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid
SMILESCC(N)C(=O)NC(CCC(=O)O)C(F)F
InChIInChI=1S/C8H14F2N2O3/c1-4(11)8(15)12-5(7(9)10)2-3-6(13)14/h4-5,7H,2-3,11H2,1H3,(H,12,15)(H,13,14)
InChIKeySZGAESMZUKVUKJ-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid?
The IUPAC name of 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid (CID 20543324) is 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid.
What is the SMILES notation for 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid?
The canonical SMILES for 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid is CC(N)C(=O)NC(CCC(=O)O)C(F)F.
What is the InChIKey of 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid?
The InChIKey is SZGAESMZUKVUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3/c1-4(11)8(15)12-5(7(9)10)2-3-6(13)14/h4-5,7H,2-3,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid?
4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid has a molecular weight of 224.21 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropanoylamino)-5,5-difluoropentanoic acid is sourced from PubChem (CID 20543324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).