2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C10H18F3N3O2 — CID 113463016

IUPAC2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN(C)CC1CC(O)CN1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-15(2)4-7-3-8(17)5-16(7)9(18)14-6-10(11,12)13/h7-8,17H,3-6H2,1-2H3,(H,14,18)
InChIKeyOVJRWLFPLCHZAS-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.26
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 113463016) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID113463016
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN(C)CC1CC(O)CN1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-15(2)4-7-3-8(17)5-16(7)9(18)14-6-10(11,12)13/h7-8,17H,3-6H2,1-2H3,(H,14,18)
InChIKeyOVJRWLFPLCHZAS-UHFFFAOYSA-N
XLogP0.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,3R,4S)-1-butyl-3,4-dihydroxypyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 87387946
1-(1-Hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134507
1-(1-Hydroxybutan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134901
N-(3-methoxypropyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 53625376
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66052641
1-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261541
1-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone
CID 103513954
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 104858916
1-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 105609069
1-(2-Hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 106613506
1-(2-Hydroxyethyl)-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 109923730
1-(1-Hydroxypropan-2-yl)-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 109923731

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 113463016) is 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CN(C)CC1CC(O)CN1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is OVJRWLFPLCHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-15(2)4-7-3-8(17)5-16(7)9(18)14-6-10(11,12)13/h7-8,17H,3-6H2,1-2H3,(H,14,18).
What are the key properties of 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 113463016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).