2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide

C14H18F3N5O — CID 72856353

IUPAC2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
SMILESNCC(=O)N[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1C1CC1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)11-3-4-19-13(21-11)22-6-9(8-1-2-8)10(7-22)20-12(23)5-18/h3-4,8-10H,1-2,5-7,18H2,(H,20,23)/t9-,10+/m1/s1
InChIKeyRAEROAIMLFIASP-ZJUUUORDSA-N
MW329.33 g/mol
LogP0.79
Rot. Bonds4

About 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide

2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide (PubChem CID 72856353) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
PubChem CID72856353
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
SMILESNCC(=O)N[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1C1CC1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)11-3-4-19-13(21-11)22-6-9(8-1-2-8)10(7-22)20-12(23)5-18/h3-4,8-10H,1-2,5-7,18H2,(H,20,23)/t9-,10+/m1/s1
InChIKeyRAEROAIMLFIASP-ZJUUUORDSA-N
XLogP0.79
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide (CID 72856353) is 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide is NCC(=O)N[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1C1CC1.
What is the InChIKey of 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is RAEROAIMLFIASP-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H18F3N5O/c15-14(16,17)11-3-4-19-13(21-11)22-6-9(8-1-2-8)10(7-22)20-12(23)5-18/h3-4,8-10H,1-2,5-7,18H2,(H,20,23)/t9-,10+/m1/s1.
What are the key properties of 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide?
2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 329.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72856353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).