1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid

C13H18N6O5 — CID 134519898

IUPAC1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid
SMILESCC(=O)CN(N)N1C(=O)CCC1=O.NNc1ccc(C(=O)O)cn1
InChIInChI=1S/C7H11N3O3.C6H7N3O2/c1-5(11)4-9(8)10-6(12)2-3-7(10)13;7-9-5-2-1-4(3-8-5)6(10)11/h2-4,8H2,1H3;1-3H,7H2,(H,8,9)(H,10,11)
InChIKeyULFGRUWSYPEJGY-UHFFFAOYSA-N
MW338.32 g/mol
LogP-1.12
Rot. Bonds5

About 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid

1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid (PubChem CID 134519898) has the molecular formula C13H18N6O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid
PubChem CID134519898
Molecular FormulaC13H18N6O5
Molecular Weight338.32 g/mol
Exact Mass338.13
IUPAC Name1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid
SMILESCC(=O)CN(N)N1C(=O)CCC1=O.NNc1ccc(C(=O)O)cn1
InChIInChI=1S/C7H11N3O3.C6H7N3O2/c1-5(11)4-9(8)10-6(12)2-3-7(10)13;7-9-5-2-1-4(3-8-5)6(10)11/h2-4,8H2,1H3;1-3H,7H2,(H,8,9)(H,10,11)
InChIKeyULFGRUWSYPEJGY-UHFFFAOYSA-N
XLogP-1.12
TPSA171.95 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
hydrazine;6-hydrazinylpyridine-3-carboxylic acid
CID 166604204
N-(3-ethylpentan-3-yl)-6-hydrazinylpyridine-3-carboxamide
CID 65042874
6-hydrazinyl-N-methylpyridine-3-carboxamide;technetium-99
CID 2826732
6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid
CID 61320227
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 62247413
N-cyclopropyl-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 62241905
(6-hydrazinyl-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62777869
4-(6-hydrazinylpyridine-3-carbonyl)piperazine-2,6-dione
CID 66061854
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243561

Frequently Asked Questions

What is the IUPAC name of 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid?
The IUPAC name of 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid (CID 134519898) is 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid?
The canonical SMILES for 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid is CC(=O)CN(N)N1C(=O)CCC1=O.NNc1ccc(C(=O)O)cn1.
What is the InChIKey of 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid?
The InChIKey is ULFGRUWSYPEJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3.C6H7N3O2/c1-5(11)4-9(8)10-6(12)2-3-7(10)13;7-9-5-2-1-4(3-8-5)6(10)11/h2-4,8H2,1H3;1-3H,7H2,(H,8,9)(H,10,11).
What are the key properties of 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid?
1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid has a molecular weight of 338.32 g/mol, XLogP of -1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(2-oxopropyl)amino]pyrrolidine-2,5-dione;6-hydrazinylpyridine-3-carboxylic acid is sourced from PubChem (CID 134519898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).