N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide

C12H21N3O3 — CID 3050862

IUPACN-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCC(N)=O)N1C(=O)CCC1(C)C
InChIInChI=1S/C12H21N3O3/c1-4-8(11(18)14-7-9(13)16)15-10(17)5-6-12(15,2)3/h8H,4-7H2,1-3H3,(H2,13,16)(H,14,18)
InChIKeyCTOBMVQXYRSGGP-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.23
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide

N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide (PubChem CID 3050862) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide
PubChem CID3050862
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCC(N)=O)N1C(=O)CCC1(C)C
InChIInChI=1S/C12H21N3O3/c1-4-8(11(18)14-7-9(13)16)15-10(17)5-6-12(15,2)3/h8H,4-7H2,1-3H3,(H2,13,16)(H,14,18)
InChIKeyCTOBMVQXYRSGGP-UHFFFAOYSA-N
XLogP-0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid
CID 159584940
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 70516631
2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid
CID 143232325
(2S)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]butanamide
CID 98146831
methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 20617418
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 140856572
(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
methyl 2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
CID 45122962
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 9401246
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide (CID 3050862) is N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)NCC(N)=O)N1C(=O)CCC1(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide?
The InChIKey is CTOBMVQXYRSGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-8(11(18)14-7-9(13)16)15-10(17)5-6-12(15,2)3/h8H,4-7H2,1-3H3,(H2,13,16)(H,14,18).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide?
N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide has a molecular weight of 255.32 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 3050862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).