(2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide

C11H16F3N3O2 — CID 56710505

IUPAC(2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O2/c1-16-8(18)7-4-6(15)5-17(7)9(19)10(2-3-10)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,18)/t6-,7-/m0/s1
InChIKeyQVCFRJIMYWZFEX-BQBZGAKWSA-N
MW279.26 g/mol
LogP0.00
Rot. Bonds2

About (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide (PubChem CID 56710505) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
PubChem CID56710505
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name(2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O2/c1-16-8(18)7-4-6(15)5-17(7)9(19)10(2-3-10)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,18)/t6-,7-/m0/s1
InChIKeyQVCFRJIMYWZFEX-BQBZGAKWSA-N
XLogP0.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide (CID 56710505) is (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide?
The InChIKey is QVCFRJIMYWZFEX-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-16-8(18)7-4-6(15)5-17(7)9(19)10(2-3-10)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,18)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide has a molecular weight of 279.26 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56710505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).