(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide

C13H23F3N2O2 — CID 97306489

IUPAC(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)C[C@H](NC(=O)N1CCC[C@@H]1CO)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)7-10(13(14,15)16)17-11(20)18-6-4-5-9(18)8-19/h9-10,19H,4-8H2,1-3H3,(H,17,20)/t9-,10+/m1/s1
InChIKeyHYYUVXRFFYFANC-ZJUUUORDSA-N
MW296.33 g/mol
LogP2.52
Rot. Bonds3

About (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 97306489) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
PubChem CID97306489
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)C[C@H](NC(=O)N1CCC[C@@H]1CO)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)7-10(13(14,15)16)17-11(20)18-6-4-5-9(18)8-19/h9-10,19H,4-8H2,1-3H3,(H,17,20)/t9-,10+/m1/s1
InChIKeyHYYUVXRFFYFANC-ZJUUUORDSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(2R)-2-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75484952
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide
CID 97306483
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99698023
(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99701904
(2S,3R)-3-hydroxy-2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104965962
3,3,3-trifluoro-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]-2-methylpropanoic acid
CID 116635696
N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428245
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid
CID 81084776
(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 111427958

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide (CID 97306489) is (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide is CC(C)(C)C[C@H](NC(=O)N1CCC[C@@H]1CO)C(F)(F)F.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is HYYUVXRFFYFANC-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-12(2,3)7-10(13(14,15)16)17-11(20)18-6-4-5-9(18)8-19/h9-10,19H,4-8H2,1-3H3,(H,17,20)/t9-,10+/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97306489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).