2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate

C15H22F3N3O3 — CID 95279464

IUPAC2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C15H22F3N3O3/c16-15(17,18)9-24-14(23)21-6-1-2-12(21)13(22)19-10-5-7-20(8-10)11-3-4-11/h10-12H,1-9H2,(H,19,22)/t10-,12-/m1/s1
InChIKeyNCJNDDRVWLVETJ-ZYHUDNBSSA-N
MW349.35 g/mol
LogP1.50
Rot. Bonds4

About 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate

2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 95279464) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID95279464
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C15H22F3N3O3/c16-15(17,18)9-24-14(23)21-6-1-2-12(21)13(22)19-10-5-7-20(8-10)11-3-4-11/h10-12H,1-9H2,(H,19,22)/t10-,12-/m1/s1
InChIKeyNCJNDDRVWLVETJ-ZYHUDNBSSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 95279464) is 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate is O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CCCN1C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is NCJNDDRVWLVETJ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c16-15(17,18)9-24-14(23)21-6-1-2-12(21)13(22)19-10-5-7-20(8-10)11-3-4-11/h10-12H,1-9H2,(H,19,22)/t10-,12-/m1/s1.
What are the key properties of 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 349.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl (2R)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 95279464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).