N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride

C13H24ClN3O3 — CID 119588587

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCN1C(=O)CCC1=O.Cl
InChIInChI=1S/C13H23N3O3.ClH/c1-9(2)7-10(8-14)15-11(17)5-6-16-12(18)3-4-13(16)19;/h9-10H,3-8,14H2,1-2H3,(H,15,17);1H
InChIKeyOYKKVPWXVJTVJS-UHFFFAOYSA-N
MW305.81 g/mol
LogP0.44
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride (PubChem CID 119588587) has the molecular formula C13H24ClN3O3 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride
PubChem CID119588587
Molecular FormulaC13H24ClN3O3
Molecular Weight305.81 g/mol
Exact Mass305.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCN1C(=O)CCC1=O.Cl
InChIInChI=1S/C13H23N3O3.ClH/c1-9(2)7-10(8-14)15-11(17)5-6-16-12(18)3-4-13(16)19;/h9-10H,3-8,14H2,1-2H3,(H,15,17);1H
InChIKeyOYKKVPWXVJTVJS-UHFFFAOYSA-N
XLogP0.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 50.44
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

2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
CID 43170163
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
CID 119588676
(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid
CID 118184263
N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 119587844
(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926518
N-(1-amino-4-methylpentan-2-yl)-4-cyclopentylbutanamide;hydrochloride
CID 119588873
N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119585818
N-(1-amino-4-methylpentan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide;hydrochloride
CID 119586069
(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid
CID 107820981
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methylbutanoic acid
CID 81063012
N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119587832
N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119587577

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride (CID 119588587) is N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride is CC(C)CC(CN)NC(=O)CCN1C(=O)CCC1=O.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride?
The InChIKey is OYKKVPWXVJTVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3.ClH/c1-9(2)7-10(8-14)15-11(17)5-6-16-12(18)3-4-13(16)19;/h9-10H,3-8,14H2,1-2H3,(H,15,17);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119588587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).