N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119272502

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(CC(=O)NC(C)(C)C)C(=O)C1CCCN1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-12(2,3)14-10(16)8-15(4)11(17)9-6-5-7-13-9;/h9,13H,5-8H2,1-4H3,(H,14,16);1H
InChIKeyOIAIYOJUXIEZRJ-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.53
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119272502) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119272502
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(CC(=O)NC(C)(C)C)C(=O)C1CCCN1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-12(2,3)14-10(16)8-15(4)11(17)9-6-5-7-13-9;/h9,13H,5-8H2,1-4H3,(H,14,16);1H
InChIKeyOIAIYOJUXIEZRJ-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164074
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 60783712
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
N-(2,2-dimethylpropyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119299416
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978319
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 141072279
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 119272502) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is CN(CC(=O)NC(C)(C)C)C(=O)C1CCCN1.Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is OIAIYOJUXIEZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-12(2,3)14-10(16)8-15(4)11(17)9-6-5-7-13-9;/h9,13H,5-8H2,1-4H3,(H,14,16);1H.
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119272502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).