1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid

C10H15F3N2O2 — CID 55142184

IUPAC1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(NCC(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)5-14-9(8(16)17)3-4-15(6-9)7-1-2-7/h7,14H,1-6H2,(H,16,17)
InChIKeyPVXMDXHZBHZSBK-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.83
Rot. Bonds4

About 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid

1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid (PubChem CID 55142184) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
PubChem CID55142184
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(NCC(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)5-14-9(8(16)17)3-4-15(6-9)7-1-2-7/h7,14H,1-6H2,(H,16,17)
InChIKeyPVXMDXHZBHZSBK-UHFFFAOYSA-N
XLogP0.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid (CID 55142184) is 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid is O=C(O)C1(NCC(F)(F)F)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid?
The InChIKey is PVXMDXHZBHZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)5-14-9(8(16)17)3-4-15(6-9)7-1-2-7/h7,14H,1-6H2,(H,16,17).
What are the key properties of 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid?
1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55142184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).