5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid

C9H10F3NO3 — CID 106209145

IUPAC5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)8(1-2-8)13-4-5(7(15)16)3-6(13)14/h5H,1-4H2,(H,15,16)
InChIKeyNHWRMKWTZGVLLB-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.01
Rot. Bonds2

About 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid (PubChem CID 106209145) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid
PubChem CID106209145
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)8(1-2-8)13-4-5(7(15)16)3-6(13)14/h5H,1-4H2,(H,15,16)
InChIKeyNHWRMKWTZGVLLB-UHFFFAOYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid (CID 106209145) is 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(C2(C(F)(F)F)CC2)C1.
What is the InChIKey of 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NHWRMKWTZGVLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)8(1-2-8)13-4-5(7(15)16)3-6(13)14/h5H,1-4H2,(H,15,16).
What are the key properties of 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid has a molecular weight of 237.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106209145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).