2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid

C12H20N2O4 — CID 113405891

IUPAC2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
SMILESCC(C)(CC(=O)NCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-12(2,11(17)18)7-9(15)13-8-10(16)14-5-3-4-6-14/h3-8H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyYYQPGUGEOALIAO-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.23
Rot. Bonds5

About 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid

2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid (PubChem CID 113405891) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
PubChem CID113405891
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
SMILESCC(C)(CC(=O)NCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-12(2,11(17)18)7-9(15)13-8-10(16)14-5-3-4-6-14/h3-8H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyYYQPGUGEOALIAO-UHFFFAOYSA-N
XLogP0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid with MolForge

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Related Compounds

N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517
2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid
CID 115577333
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119416513
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302151
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid
CID 65302425
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
CID 113281833
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 65297555
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid (CID 113405891) is 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid is CC(C)(CC(=O)NCC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid?
The InChIKey is YYQPGUGEOALIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,11(17)18)7-9(15)13-8-10(16)14-5-3-4-6-14/h3-8H2,1-2H3,(H,13,15)(H,17,18).
What are the key properties of 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid?
2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid has a molecular weight of 256.30 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 2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid is sourced from PubChem (CID 113405891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).