(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride

C8H14ClF3N2O2 — CID 178127033

IUPAC(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(OC(F)(F)F)C1.Cl
InChIInChI=1S/C8H13F3N2O2.ClH/c1-5(12)7(14)13-3-2-6(4-13)15-8(9,10)11;/h5-6H,2-4,12H2,1H3;1H/t5-,6?;/m1./s1
InChIKeyMPIMUGXEIKQRPH-VQALBSKCSA-N
MW262.66 g/mol
LogP0.89
Rot. Bonds2

About (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride

(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride (PubChem CID 178127033) has the molecular formula C8H14ClF3N2O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
PubChem CID178127033
Molecular FormulaC8H14ClF3N2O2
Molecular Weight262.66 g/mol
Exact Mass262.07
IUPAC Name(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(OC(F)(F)F)C1.Cl
InChIInChI=1S/C8H13F3N2O2.ClH/c1-5(12)7(14)13-3-2-6(4-13)15-8(9,10)11;/h5-6H,2-4,12H2,1H3;1H/t5-,6?;/m1./s1
InChIKeyMPIMUGXEIKQRPH-VQALBSKCSA-N
XLogP0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one
CID 178126862
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 130635409
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119337265
4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 118662288
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride (CID 178127033) is (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CCC(OC(F)(F)F)C1.Cl.
What is the InChIKey of (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is MPIMUGXEIKQRPH-VQALBSKCSA-N. The full InChI is InChI=1S/C8H13F3N2O2.ClH/c1-5(12)7(14)13-3-2-6(4-13)15-8(9,10)11;/h5-6H,2-4,12H2,1H3;1H/t5-,6?;/m1./s1.
What are the key properties of (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 262.66 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 178127033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).