(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid

C13H20N2O5 — CID 103926518

IUPAC(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-13(2,3)11(12(19)20)14-8(16)6-7-15-9(17)4-5-10(15)18/h11H,4-7H2,1-3H3,(H,14,16)(H,19,20)/t11-/m0/s1
InChIKeyHNUKIKWMWUJASG-NSHDSACASA-N
MW284.31 g/mol
LogP0.14
Rot. Bonds5

About (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103926518) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid
PubChem CID103926518
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-13(2,3)11(12(19)20)14-8(16)6-7-15-9(17)4-5-10(15)18/h11H,4-7H2,1-3H3,(H,14,16)(H,19,20)/t11-/m0/s1
InChIKeyHNUKIKWMWUJASG-NSHDSACASA-N
XLogP0.14
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.14
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 (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid (CID 103926518) is (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is HNUKIKWMWUJASG-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O5/c1-13(2,3)11(12(19)20)14-8(16)6-7-15-9(17)4-5-10(15)18/h11H,4-7H2,1-3H3,(H,14,16)(H,19,20)/t11-/m0/s1.
What are the key properties of (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 284.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103926518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).