2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid

C7H10F2N2O3 — CID 165466795

IUPAC2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
SMILESO=C1CN(CC(F)(F)C(=O)O)CCN1
InChIInChI=1S/C7H10F2N2O3/c8-7(9,6(13)14)4-11-2-1-10-5(12)3-11/h1-4H2,(H,10,12)(H,13,14)
InChIKeyRHEJKHRCTGTZIU-UHFFFAOYSA-N
MW208.16 g/mol
LogP-0.86
Rot. Bonds3

About 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid

2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid (PubChem CID 165466795) has the molecular formula C7H10F2N2O3 and a molecular weight of 208.16 g/mol. Its IUPAC name is 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
PubChem CID165466795
Molecular FormulaC7H10F2N2O3
Molecular Weight208.16 g/mol
Exact Mass208.07
IUPAC Name2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
SMILESO=C1CN(CC(F)(F)C(=O)O)CCN1
InChIInChI=1S/C7H10F2N2O3/c8-7(9,6(13)14)4-11-2-1-10-5(12)3-11/h1-4H2,(H,10,12)(H,13,14)
InChIKeyRHEJKHRCTGTZIU-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid (CID 165466795) is 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid is O=C1CN(CC(F)(F)C(=O)O)CCN1.
What is the InChIKey of 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid?
The InChIKey is RHEJKHRCTGTZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3/c8-7(9,6(13)14)4-11-2-1-10-5(12)3-11/h1-4H2,(H,10,12)(H,13,14).
What are the key properties of 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid?
2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid has a molecular weight of 208.16 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 165466795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).