methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate

C8H11N3O4 — CID 86639370

IUPACmethyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C8H11N3O4/c1-15-6(12)3-2-5-4-10-8(14)11(9)7(5)13/h4H,2-3,9H2,1H3,(H,10,14)
InChIKeyVSLVSVRZIVOXNW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.64
Rot. Bonds3

About methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate

methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate (PubChem CID 86639370) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate
PubChem CID86639370
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Namemethyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C8H11N3O4/c1-15-6(12)3-2-5-4-10-8(14)11(9)7(5)13/h4H,2-3,9H2,1H3,(H,10,14)
InChIKeyVSLVSVRZIVOXNW-UHFFFAOYSA-N
XLogP-1.64
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate?
The IUPAC name of methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate (CID 86639370) is methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate is COC(=O)CCc1c[nH]c(=O)n(N)c1=O.
What is the InChIKey of methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate?
The InChIKey is VSLVSVRZIVOXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-6(12)3-2-5-4-10-8(14)11(9)7(5)13/h4H,2-3,9H2,1H3,(H,10,14).
What are the key properties of methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate?
methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate has a molecular weight of 213.19 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-2,4-dioxo-1H-pyrimidin-5-yl)propanoate is sourced from PubChem (CID 86639370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).