1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione

C9H16N2O2 — CID 83817356

IUPAC1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione
SMILESCC(C)(N)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,10)5-6-11-7(12)3-4-8(11)13/h3-6,10H2,1-2H3
InChIKeyBIGUKZNZKUZWTR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.26
Rot. Bonds3

About 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione

1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione (PubChem CID 83817356) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione
PubChem CID83817356
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione
SMILESCC(C)(N)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,10)5-6-11-7(12)3-4-8(11)13/h3-6,10H2,1-2H3
InChIKeyBIGUKZNZKUZWTR-UHFFFAOYSA-N
XLogP0.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.26
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

3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
CID 83819144
1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione
CID 66230891
1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione
CID 164683801
1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione
CID 115306372
methyl 2-amino-4-(2,5-dioxopyrrolidin-1-yl)-2-phenylbutanoate
CID 116694039
1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one
CID 116978853
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 63102254
6-(aminomethyl)-4-(3-amino-3-methylbutyl)-1,4-benzoxazin-3-one
CID 115200626
3-(2,5-dioxopyrrolidin-1-yl)propanethioamide
CID 24709121
1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione
CID 139478689
1-(2-bromoethyl)piperidine-2,6-dione
CID 10943981
1-(3-chloropropyl)pyrrolidine-2,5-dione
CID 16788086

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione (CID 83817356) is 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione is CC(C)(N)CCN1C(=O)CCC1=O.
What is the InChIKey of 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione?
The InChIKey is BIGUKZNZKUZWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,10)5-6-11-7(12)3-4-8(11)13/h3-6,10H2,1-2H3.
What are the key properties of 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione?
1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 83817356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).