(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid

C9H14F4N2O3 — CID 71280348

IUPAC(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
SMILESC[C@@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13FN2O.C2HF3O2/c1-5(9)7(11)10-3-2-6(8)4-10;3-2(4,5)1(6)7/h5-6H,2-4,9H2,1H3;(H,6,7)/t5-,6+;/m1./s1
InChIKeyFLNUDVSCOSBNIP-IBTYICNHSA-N
MW274.21 g/mol
LogP0.54
Rot. Bonds1

About (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid

(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 71280348) has the molecular formula C9H14F4N2O3 and a molecular weight of 274.21 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
PubChem CID71280348
Molecular FormulaC9H14F4N2O3
Molecular Weight274.21 g/mol
Exact Mass274.09
IUPAC Name(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
SMILESC[C@@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13FN2O.C2HF3O2/c1-5(9)7(11)10-3-2-6(8)4-10;3-2(4,5)1(6)7/h5-6H,2-4,9H2,1H3;(H,6,7)/t5-,6+;/m1./s1
InChIKeyFLNUDVSCOSBNIP-IBTYICNHSA-N
XLogP0.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-(azetidin-3-yl)pyrrolidin-2-one; tfa salt
CID 86811379
3-Amino-1-methylpyrrolidine-2,5-dione; trifluoroacetic acid
CID 54595575
2-Amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one
CID 10443214
2-[[(2,2,2-Trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 18928302
2-amino-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide;2,2,2-trifluoroacetic acid
CID 19733828
2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid
CID 19827986
2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 22411341
2-Amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one;hydrochloride
CID 22645919
(2S)-2-amino-N,N-dimethylpropanamide trifluoroacetate
CID 22860858
(2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 53832261
2-[2,2-difluoropropanoyl-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 59492161
2-Amino-1-(pyrrolidin-1-yl)ethanone 2,2,2-trifluoroacetate
CID 66995238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid (CID 71280348) is (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid is C[C@@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is FLNUDVSCOSBNIP-IBTYICNHSA-N. The full InChI is InChI=1S/C7H13FN2O.C2HF3O2/c1-5(9)7(11)10-3-2-6(8)4-10;3-2(4,5)1(6)7/h5-6H,2-4,9H2,1H3;(H,6,7)/t5-,6+;/m1./s1.
What are the key properties of (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 274.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71280348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).