1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide

C12H22N2O2 — CID 123334785

IUPAC1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCCC1C(N)=O)C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-8(12(2,3)4)11(16)14-7-5-6-9(14)10(13)15/h8-9H,5-7H2,1-4H3,(H2,13,15)
InChIKeyBXFUEKDOUVBYJS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.14
Rot. Bonds2

About 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide

1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 123334785) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID123334785
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCCC1C(N)=O)C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-8(12(2,3)4)11(16)14-7-5-6-9(14)10(13)15/h8-9H,5-7H2,1-4H3,(H2,13,15)
InChIKeyBXFUEKDOUVBYJS-UHFFFAOYSA-N
XLogP1.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butane;molecular hydrogen;(2S)-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143355463
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 70287135
(2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide
CID 167404690
tert-butyl N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7031930
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 71168276
[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] (2R)-2,3-dimethylbutanoate
CID 167220590

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide (CID 123334785) is 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide is CC(C(=O)N1CCCC1C(N)=O)C(C)(C)C.
What is the InChIKey of 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is BXFUEKDOUVBYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(12(2,3)4)11(16)14-7-5-6-9(14)10(13)15/h8-9H,5-7H2,1-4H3,(H2,13,15).
What are the key properties of 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide?
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123334785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).