2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid

C14H22N2O4 — CID 79788639

IUPAC2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC1CC(=O)N(C2CCCC2)C1=O)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-3-14(2,13(19)20)15-10-8-11(17)16(12(10)18)9-6-4-5-7-9/h9-10,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyOBIOPSUGHNGWCX-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.90
Rot. Bonds5

About 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid

2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid (PubChem CID 79788639) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid
PubChem CID79788639
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC1CC(=O)N(C2CCCC2)C1=O)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-3-14(2,13(19)20)15-10-8-11(17)16(12(10)18)9-6-4-5-7-9/h9-10,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyOBIOPSUGHNGWCX-UHFFFAOYSA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid (CID 79788639) is 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid is CCC(C)(NC1CC(=O)N(C2CCCC2)C1=O)C(=O)O.
What is the InChIKey of 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid?
The InChIKey is OBIOPSUGHNGWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-14(2,13(19)20)15-10-8-11(17)16(12(10)18)9-6-4-5-7-9/h9-10,15H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid?
2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79788639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).