(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide

C14H18F3N3O — CID 94770331

IUPAC(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
SMILESNC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)9-20-7-6-11(8-20)19-12(13(18)21)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H2,18,21)/t11-,12+/m1/s1
InChIKeyCVHARKYIQWCMOP-NEPJUHHUSA-N
MW301.31 g/mol
LogP1.44
Rot. Bonds5

About (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide

(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide (PubChem CID 94770331) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
PubChem CID94770331
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
SMILESNC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)9-20-7-6-11(8-20)19-12(13(18)21)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H2,18,21)/t11-,12+/m1/s1
InChIKeyCVHARKYIQWCMOP-NEPJUHHUSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide (CID 94770331) is (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide is NC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide?
The InChIKey is CVHARKYIQWCMOP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)9-20-7-6-11(8-20)19-12(13(18)21)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H2,18,21)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide?
(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide has a molecular weight of 301.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 94770331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).