(2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid

C11H14F2N2O3 — CID 166288625

IUPAC(2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid
SMILESCCc1cc(CN2CC(F)(F)C[C@@H]2C(=O)O)on1
InChIInChI=1S/C11H14F2N2O3/c1-2-7-3-8(18-14-7)5-15-6-11(12,13)4-9(15)10(16)17/h3,9H,2,4-6H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyKZASEMFHVINUHX-SECBINFHSA-N
MW260.24 g/mol
LogP1.53
Rot. Bonds4

About (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid

(2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid (PubChem CID 166288625) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid
PubChem CID166288625
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name(2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid
SMILESCCc1cc(CN2CC(F)(F)C[C@@H]2C(=O)O)on1
InChIInChI=1S/C11H14F2N2O3/c1-2-7-3-8(18-14-7)5-15-6-11(12,13)4-9(15)10(16)17/h3,9H,2,4-6H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyKZASEMFHVINUHX-SECBINFHSA-N
XLogP1.53
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid (CID 166288625) is (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid is CCc1cc(CN2CC(F)(F)C[C@@H]2C(=O)O)on1.
What is the InChIKey of (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid?
The InChIKey is KZASEMFHVINUHX-SECBINFHSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-2-7-3-8(18-14-7)5-15-6-11(12,13)4-9(15)10(16)17/h3,9H,2,4-6H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid?
(2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid has a molecular weight of 260.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxylic acid is sourced from PubChem (CID 166288625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).