1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H15F3N2O4 — CID 64892809

IUPAC1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)CCOC1
InChIInChI=1S/C11H15F3N2O4/c12-11(13,14)9(8(18)19)1-3-16(5-9)7(17)10(15)2-4-20-6-10/h1-6,15H2,(H,18,19)
InChIKeyOGQVUYHTNLMBRZ-UHFFFAOYSA-N
MW296.25 g/mol
LogP-0.03
Rot. Bonds2

About 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 64892809) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID64892809
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)CCOC1
InChIInChI=1S/C11H15F3N2O4/c12-11(13,14)9(8(18)19)1-3-16(5-9)7(17)10(15)2-4-20-6-10/h1-6,15H2,(H,18,19)
InChIKeyOGQVUYHTNLMBRZ-UHFFFAOYSA-N
XLogP-0.03
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 64892809) is 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)CCOC1.
What is the InChIKey of 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OGQVUYHTNLMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c12-11(13,14)9(8(18)19)1-3-16(5-9)7(17)10(15)2-4-20-6-10/h1-6,15H2,(H,18,19).
What are the key properties of 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolane-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64892809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).