ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate

C11H17N3O4 — CID 10956149

IUPACethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate
SMILESCCOC(=O)CCCCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-2-18-9(15)5-3-4-6-14-7-8(12)10(16)13-11(14)17/h7H,2-6,12H2,1H3,(H,13,16,17)
InChIKeyYKBZVHUGLZTGGE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.15
Rot. Bonds6

About ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate

ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate (PubChem CID 10956149) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate
PubChem CID10956149
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Nameethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate
SMILESCCOC(=O)CCCCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-2-18-9(15)5-3-4-6-14-7-8(12)10(16)13-11(14)17/h7H,2-6,12H2,1H3,(H,13,16,17)
InChIKeyYKBZVHUGLZTGGE-UHFFFAOYSA-N
XLogP-0.15
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate?
The IUPAC name of ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate (CID 10956149) is ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate?
The canonical SMILES for ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate is CCOC(=O)CCCCn1cc(N)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate?
The InChIKey is YKBZVHUGLZTGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-18-9(15)5-3-4-6-14-7-8(12)10(16)13-11(14)17/h7H,2-6,12H2,1H3,(H,13,16,17).
What are the key properties of ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate?
ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate has a molecular weight of 255.27 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-amino-2,4-dioxopyrimidin-1-yl)pentanoate is sourced from PubChem (CID 10956149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).