(2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 18648332

IUPAC(2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)NC(=O)[C@@H]1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-9(2,3)11-8(12)7-5-4-6-10-7;3-2(4,5)1(6)7/h7,10H,4-6H2,1-3H3,(H,11,12);(H,6,7)/t7-;/m0./s1
InChIKeyONZQXOOGAYGUGV-FJXQXJEOSA-N
MW284.28 g/mol
LogP1.29
Rot. Bonds1

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

(2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 18648332) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID18648332
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name(2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)NC(=O)[C@@H]1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-9(2,3)11-8(12)7-5-4-6-10-7;3-2(4,5)1(6)7/h7,10H,4-6H2,1-3H3,(H,11,12);(H,6,7)/t7-;/m0./s1
InChIKeyONZQXOOGAYGUGV-FJXQXJEOSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 18648332) is (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)(C)NC(=O)[C@@H]1CCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ONZQXOOGAYGUGV-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-9(2,3)11-8(12)7-5-4-6-10-7;3-2(4,5)1(6)7/h7,10H,4-6H2,1-3H3,(H,11,12);(H,6,7)/t7-;/m0./s1.
What are the key properties of (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 18648332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).