3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide

C9H15N3O3 — CID 106096164

IUPAC3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC1CC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c1-9(2,4-6(10)13)12-5-3-7(14)11-8(5)15/h5,12H,3-4H2,1-2H3,(H2,10,13)(H,11,14,15)
InChIKeyLOSKWEZWKWSYOH-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.35
Rot. Bonds4

About 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide

3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide (PubChem CID 106096164) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide
PubChem CID106096164
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC1CC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c1-9(2,4-6(10)13)12-5-3-7(14)11-8(5)15/h5,12H,3-4H2,1-2H3,(H2,10,13)(H,11,14,15)
InChIKeyLOSKWEZWKWSYOH-UHFFFAOYSA-N
XLogP-1.35
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrrolidine-2,5-dione
CID 106189830
3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166040
2-[(2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 43637912
3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrrolidine-2,5-dione
CID 106146606
6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid
CID 65287371
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456
3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83141889
2-(dimethylamino)-N-(2,5-dioxopyrrolidin-3-yl)acetamide
CID 110479878
N-(2,5-dioxopyrrolidin-3-yl)-2-ethylbutanamide
CID 110461449

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide (CID 106096164) is 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)NC1CC(=O)NC1=O.
What is the InChIKey of 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide?
The InChIKey is LOSKWEZWKWSYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-9(2,4-6(10)13)12-5-3-7(14)11-8(5)15/h5,12H,3-4H2,1-2H3,(H2,10,13)(H,11,14,15).
What are the key properties of 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide?
3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide has a molecular weight of 213.24 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106096164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).