ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate

C14H21N3O4 — CID 114393820

IUPACethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate
SMILESCCOC(=O)CC(O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C14H21N3O4/c1-2-21-14(20)8-12(18)10-17-13(19)7-11(9-15-17)16-5-3-4-6-16/h7,9,12,18H,2-6,8,10H2,1H3
InChIKeyAPXZIXLEJYYGCI-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.16
Rot. Bonds6

About ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate

ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate (PubChem CID 114393820) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate
PubChem CID114393820
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate
SMILESCCOC(=O)CC(O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C14H21N3O4/c1-2-21-14(20)8-12(18)10-17-13(19)7-11(9-15-17)16-5-3-4-6-16/h7,9,12,18H,2-6,8,10H2,1H3
InChIKeyAPXZIXLEJYYGCI-UHFFFAOYSA-N
XLogP0.16
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate (CID 114393820) is ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate is CCOC(=O)CC(O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate?
The InChIKey is APXZIXLEJYYGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-21-14(20)8-12(18)10-17-13(19)7-11(9-15-17)16-5-3-4-6-16/h7,9,12,18H,2-6,8,10H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate?
ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate has a molecular weight of 295.34 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoate is sourced from PubChem (CID 114393820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).