(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide

C11H17F3N2O2 — CID 57438438

IUPAC(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCCN1)C(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-6(2)8(9(17)11(12,13)14)16-10(18)7-4-3-5-15-7/h6-8,15H,3-5H2,1-2H3,(H,16,18)/t7-,8?/m0/s1
InChIKeyKEFJHNDQLIZTGS-JAMMHHFISA-N
MW266.26 g/mol
LogP1.01
Rot. Bonds4

About (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide

(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide (PubChem CID 57438438) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
PubChem CID57438438
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCCN1)C(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-6(2)8(9(17)11(12,13)14)16-10(18)7-4-3-5-15-7/h6-8,15H,3-5H2,1-2H3,(H,16,18)/t7-,8?/m0/s1
InChIKeyKEFJHNDQLIZTGS-JAMMHHFISA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide
CID 102282932
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
CID 104965322
tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 11778633
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 43703517
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
(2R)-N-propan-2-ylazetidine-2-carboxamide
CID 128886462
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide (CID 57438438) is (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide is CC(C)C(NC(=O)[C@@H]1CCCN1)C(=O)C(F)(F)F.
What is the InChIKey of (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is KEFJHNDQLIZTGS-JAMMHHFISA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-6(2)8(9(17)11(12,13)14)16-10(18)7-4-3-5-15-7/h6-8,15H,3-5H2,1-2H3,(H,16,18)/t7-,8?/m0/s1.
What are the key properties of (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide?
(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 57438438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).