3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione

C13H24N2O2 — CID 43637941

IUPAC3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(C)NC1CC(=O)N(C(CC)CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-9(4)14-11-8-12(16)15(13(11)17)10(6-2)7-3/h9-11,14H,5-8H2,1-4H3
InChIKeyLLKJXLUBEMZAGW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.69
Rot. Bonds6

About 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione

3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 43637941) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID43637941
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(C)NC1CC(=O)N(C(CC)CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-9(4)14-11-8-12(16)15(13(11)17)10(6-2)7-3/h9-11,14H,5-8H2,1-4H3
InChIKeyLLKJXLUBEMZAGW-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638681
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 43638643
1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 61473329
N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide
CID 115356356
3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637986
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
CID 43638073
3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637991
3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 61469351
tert-butyl N-[2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 104932989
3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 64742275
methyl 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propanoate
CID 54960207

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione (CID 43637941) is 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(C)NC1CC(=O)N(C(CC)CC)C1=O.
What is the InChIKey of 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is LLKJXLUBEMZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-9(4)14-11-8-12(16)15(13(11)17)10(6-2)7-3/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43637941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).