(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one

C7H11F3N2O2 — CID 129496272

IUPAC(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c1-4(11)5(13)12-2-6(14,3-12)7(8,9)10/h4,14H,2-3,11H2,1H3/t4-/m0/s1
InChIKeyDHQATBFKURYNFM-BYPYZUCNSA-N
MW212.17 g/mol
LogP-0.53
Rot. Bonds1

About (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one

(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one (PubChem CID 129496272) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
PubChem CID129496272
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c1-4(11)5(13)12-2-6(14,3-12)7(8,9)10/h4,14H,2-3,11H2,1H3/t4-/m0/s1
InChIKeyDHQATBFKURYNFM-BYPYZUCNSA-N
XLogP-0.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220086
bis((2S)-2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one);dihydrochloride
CID 158386943
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 119333395
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119800798
2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743719
(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743605
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444448

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one (CID 129496272) is (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one?
The InChIKey is DHQATBFKURYNFM-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-4(11)5(13)12-2-6(14,3-12)7(8,9)10/h4,14H,2-3,11H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one?
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one has a molecular weight of 212.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 129496272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).