1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide

C13H24N2O3 — CID 79031217

IUPAC1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@H](CO)NC(=O)C1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-9(8-16)14-11(17)10-6-5-7-15(10)12(18)13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,17)/t9-,10?/m1/s1
InChIKeyQPHACTIVECNAAD-YHMJZVADSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 79031217) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID79031217
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@H](CO)NC(=O)C1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-9(8-16)14-11(17)10-6-5-7-15(10)12(18)13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,17)/t9-,10?/m1/s1
InChIKeyQPHACTIVECNAAD-YHMJZVADSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 80749163
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 43427876
1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 71328856
(2S)-1-(2,2-dimethylpropanoyl)-N-[(1R)-3-methyl-1-(methylcarbamoylamino)butyl]pyrrolidine-2-carboxamide
CID 139190267
N-(2,2-difluoro-3-hydroxypropyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 104862896
N-[1-(4-bromophenyl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55606366
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
1-(2,2-dimethylpropanoyl)-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 71328887
N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 102867252
2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 177047890
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 58171936

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide (CID 79031217) is 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide is C[C@H](CO)NC(=O)C1CCCN1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is QPHACTIVECNAAD-YHMJZVADSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(8-16)14-11(17)10-6-5-7-15(10)12(18)13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,17)/t9-,10?/m1/s1.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79031217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).