3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid

C11H16F3NO4 — CID 63146013

IUPAC3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO4/c1-2-3-10(8(16)17)4-5-15(6-10)9(18)19-7-11(12,13)14/h2-7H2,1H3,(H,16,17)
InChIKeyXGPWIPJXJCQYNX-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.26
Rot. Bonds4

About 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid

3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146013) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63146013
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO4/c1-2-3-10(8(16)17)4-5-15(6-10)9(18)19-7-11(12,13)14/h2-7H2,1H3,(H,16,17)
InChIKeyXGPWIPJXJCQYNX-UHFFFAOYSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid (CID 63146013) is 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)OCC(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XGPWIPJXJCQYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-2-3-10(8(16)17)4-5-15(6-10)9(18)19-7-11(12,13)14/h2-7H2,1H3,(H,16,17).
What are the key properties of 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid?
3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).