(2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

C9H15F3N2O3 — CID 68600133

IUPAC(2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)[C@@H]1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-2-8-7(10)6-4-3-5-9-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7)/t6-;/m0./s1
InChIKeyCKSZQFWFDGHBCQ-RGMNGODLSA-N
MW256.22 g/mol
LogP0.51
Rot. Bonds2

About (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

(2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68600133) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68600133
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name(2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)[C@@H]1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-2-8-7(10)6-4-3-5-9-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7)/t6-;/m0./s1
InChIKeyCKSZQFWFDGHBCQ-RGMNGODLSA-N
XLogP0.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 68600133) is (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is CCNC(=O)[C@@H]1CCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CKSZQFWFDGHBCQ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14N2O.C2HF3O2/c1-2-8-7(10)6-4-3-5-9-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7)/t6-;/m0./s1.
What are the key properties of (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68600133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).