[2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate

C13H19N3O5 — CID 62814820

IUPAC[2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCOCCCNC(=O)COC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-20-6-2-5-15-11(17)9-21-13(19)8-16-7-10(14)3-4-12(16)18/h3-4,7H,2,5-6,8-9,14H2,1H3,(H,15,17)
InChIKeyUGLJFIOWVCEIBR-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.87
Rot. Bonds8

About [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate

[2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62814820) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62814820
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name[2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCOCCCNC(=O)COC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-20-6-2-5-15-11(17)9-21-13(19)8-16-7-10(14)3-4-12(16)18/h3-4,7H,2,5-6,8-9,14H2,1H3,(H,15,17)
InChIKeyUGLJFIOWVCEIBR-UHFFFAOYSA-N
XLogP-0.87
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate with MolForge

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Related Compounds

methoxymethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 65364298
[2-(3-methoxypropylamino)-2-oxoethyl] 4-aminobenzoate
CID 60625420
2-(5-amino-2-oxo-1-pyridinyl)-N-[3-(dimethylamino)propyl]acetamide
CID 62815634
2-(5-amino-2-oxo-1-pyridinyl)-N-[4-(dimethylamino)butyl]acetamide
CID 55118154
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
CID 55210676
(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62815511
2-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62814969
(1-amino-1-oxopropan-2-yl) 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814992
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 106033376

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62814820) is [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate is COCCCNC(=O)COC(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is UGLJFIOWVCEIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-20-6-2-5-15-11(17)9-21-13(19)8-16-7-10(14)3-4-12(16)18/h3-4,7H,2,5-6,8-9,14H2,1H3,(H,15,17).
What are the key properties of [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate?
[2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 297.31 g/mol, XLogP of -0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62814820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).