1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

C16H29N3O3 — CID 71328856

IUPAC1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C16H29N3O3/c1-10(2)12(14(21)17-6)18-13(20)11-8-7-9-19(11)15(22)16(3,4)5/h10-12H,7-9H2,1-6H3,(H,17,21)(H,18,20)
InChIKeyMJONSIMSYGZDCY-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.91
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 71328856) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID71328856
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C16H29N3O3/c1-10(2)12(14(21)17-6)18-13(20)11-8-7-9-19(11)15(22)16(3,4)5/h10-12H,7-9H2,1-6H3,(H,17,21)(H,18,20)
InChIKeyMJONSIMSYGZDCY-UHFFFAOYSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide
CID 79031217
(2S)-1-(2,2-dimethylpropanoyl)-N-[(1R)-3-methyl-1-(methylcarbamoylamino)butyl]pyrrolidine-2-carboxamide
CID 139190267
1-(2,2-dimethylpropanoyl)-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 71328887
(2R)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 80749163
(2S)-1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 102394151
(2S)-3-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid
CID 11758831
N-[1-(4-bromophenyl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55606366
(2S)-1-[(2S)-2,3-dimethylbutanoyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyrrolidine-2-carboxamide
CID 163895120
tert-butyl (2S)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 7154716
tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 7154718
2-[[2-[[1-(2-amino-3-sulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 18260451
2-[[2-[[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 18751083

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (CID 71328856) is 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)C)C(C)C.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is MJONSIMSYGZDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-10(2)12(14(21)17-6)18-13(20)11-8-7-9-19(11)15(22)16(3,4)5/h10-12H,7-9H2,1-6H3,(H,17,21)(H,18,20).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.91, 4 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-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71328856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).