(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

C9H15F3N2O5 — CID 67428099

IUPAC(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@H]1NCC(O)C1O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O3.C2HF3O2/c1-9(2)7(12)5-6(11)4(10)3-8-5;3-2(4,5)1(6)7/h4-6,8,10-11H,3H2,1-2H3;(H,6,7)/t4?,5-,6?;/m0./s1
InChIKeyUSVTVTWOCFEPBQ-RKJWSEPFSA-N
MW288.22 g/mol
LogP-1.60
Rot. Bonds1

About (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67428099) has the molecular formula C9H15F3N2O5 and a molecular weight of 288.22 g/mol. Its IUPAC name is (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67428099
Molecular FormulaC9H15F3N2O5
Molecular Weight288.22 g/mol
Exact Mass288.09
IUPAC Name(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@H]1NCC(O)C1O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O3.C2HF3O2/c1-9(2)7(12)5-6(11)4(10)3-8-5;3-2(4,5)1(6)7/h4-6,8,10-11H,3H2,1-2H3;(H,6,7)/t4?,5-,6?;/m0./s1
InChIKeyUSVTVTWOCFEPBQ-RKJWSEPFSA-N
XLogP-1.60
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 67428099) is (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)[C@H]1NCC(O)C1O.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is USVTVTWOCFEPBQ-RKJWSEPFSA-N. The full InChI is InChI=1S/C7H14N2O3.C2HF3O2/c1-9(2)7(12)5-6(11)4(10)3-8-5;3-2(4,5)1(6)7/h4-6,8,10-11H,3H2,1-2H3;(H,6,7)/t4?,5-,6?;/m0./s1.
What are the key properties of (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 288.22 g/mol, XLogP of -1.60, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67428099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).