3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid

C7H10F2N2O3 — CID 107323120

IUPAC3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)C(F)F)C1
InChIInChI=1S/C7H10F2N2O3/c8-4(9)5(12)11-2-1-7(10,3-11)6(13)14/h4H,1-3,10H2,(H,13,14)
InChIKeyIDKHRPIJFGLDBJ-UHFFFAOYSA-N
MW208.16 g/mol
LogP-0.73
Rot. Bonds2

About 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323120) has the molecular formula C7H10F2N2O3 and a molecular weight of 208.16 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
PubChem CID107323120
Molecular FormulaC7H10F2N2O3
Molecular Weight208.16 g/mol
Exact Mass208.07
IUPAC Name3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)C(F)F)C1
InChIInChI=1S/C7H10F2N2O3/c8-4(9)5(12)11-2-1-7(10,3-11)6(13)14/h4H,1-3,10H2,(H,13,14)
InChIKeyIDKHRPIJFGLDBJ-UHFFFAOYSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid (CID 107323120) is 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)C(F)F)C1.
What is the InChIKey of 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IDKHRPIJFGLDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3/c8-4(9)5(12)11-2-1-7(10,3-11)6(13)14/h4H,1-3,10H2,(H,13,14).
What are the key properties of 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 208.16 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).