2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid

C13H20N2O5 — CID 43170163

IUPAC2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-8(2)7-9(13(19)20)14-10(16)5-6-15-11(17)3-4-12(15)18/h8-9H,3-7H2,1-2H3,(H,14,16)(H,19,20)
InChIKeyZNOIDEXTOAENRS-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.14
Rot. Bonds7

About 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid

2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid (PubChem CID 43170163) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
PubChem CID43170163
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-8(2)7-9(13(19)20)14-10(16)5-6-15-11(17)3-4-12(15)18/h8-9H,3-7H2,1-2H3,(H,14,16)(H,19,20)
InChIKeyZNOIDEXTOAENRS-UHFFFAOYSA-N
XLogP0.14
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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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Related Compounds

(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid
CID 118184263
(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid
CID 107820981
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride
CID 119588587
2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
4-methyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentanoic acid
CID 82033825
(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926518
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476
(2S)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]-4-methylpentanoic acid
CID 7097199
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methylbutanoic acid
CID 81063012
2-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188265
(2R)-4-methyl-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]pentanoic acid
CID 125134252
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 71998957

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid (CID 43170163) is 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid is CC(C)CC(NC(=O)CCN1C(=O)CCC1=O)C(=O)O.
What is the InChIKey of 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid?
The InChIKey is ZNOIDEXTOAENRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-8(2)7-9(13(19)20)14-10(16)5-6-15-11(17)3-4-12(15)18/h8-9H,3-7H2,1-2H3,(H,14,16)(H,19,20).
What are the key properties of 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid?
2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid has a molecular weight of 284.31 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 43170163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).