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

C12H23N3O2 — CID 61164074

IUPAC(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H23N3O2/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)/t9-/m0/s1
InChIKeyUJLKJLAQJOXLAC-VIFPVBQESA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds3

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

(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 61164074) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID61164074
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H23N3O2/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)/t9-/m0/s1
InChIKeyUJLKJLAQJOXLAC-VIFPVBQESA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272502
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
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 141072279
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978319
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide (CID 61164074) is (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is UJLKJLAQJOXLAC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23N3O2/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)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61164074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).