N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride

C9H16ClN3O6 — CID 131724605

IUPACN,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride
SMILESCN(C)C=O.Cl.NOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O5.C3H7NO.ClH/c7-12-3-6(11)13-8-4(9)1-2-5(8)10;1-4(2)3-5;/h1-3,7H2;3H,1-2H3;1H
InChIKeyCCSHBPBSDNJMMV-UHFFFAOYSA-N
MW297.69 g/mol
LogP-1.39
Rot. Bonds4

About N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride

N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride (PubChem CID 131724605) has the molecular formula C9H16ClN3O6 and a molecular weight of 297.69 g/mol. Its IUPAC name is N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride
PubChem CID131724605
Molecular FormulaC9H16ClN3O6
Molecular Weight297.69 g/mol
Exact Mass297.07
IUPAC NameN,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride
SMILESCN(C)C=O.Cl.NOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O5.C3H7NO.ClH/c7-12-3-6(11)13-8-4(9)1-2-5(8)10;1-4(2)3-5;/h1-3,7H2;3H,1-2H3;1H
InChIKeyCCSHBPBSDNJMMV-UHFFFAOYSA-N
XLogP-1.39
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate
CID 159218851
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
1-O-(2,5-dioxopyrrolidin-1-yl) 11-O-[methyl(4-oxobutanoyl)amino] undecanedioate
CID 126540985
(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane
CID 143085911
(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]but-2-ynoxy]acetate
CID 102332025
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride?
The IUPAC name of N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride (CID 131724605) is N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride.
What is the SMILES notation for N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride?
The canonical SMILES for N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride is CN(C)C=O.Cl.NOCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride?
The InChIKey is CCSHBPBSDNJMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O5.C3H7NO.ClH/c7-12-3-6(11)13-8-4(9)1-2-5(8)10;1-4(2)3-5;/h1-3,7H2;3H,1-2H3;1H.
What are the key properties of N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride?
N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride has a molecular weight of 297.69 g/mol, XLogP of -1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride is sourced from PubChem (CID 131724605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).