methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate

C8H11N3O3 — CID 14216906

IUPACmethyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)C(C)n1ccc(N)nc1=O
InChIInChI=1S/C8H11N3O3/c1-5(7(12)14-2)11-4-3-6(9)10-8(11)13/h3-5H,1-2H3,(H2,9,10,13)
InChIKeyVOMGEWRUBJDKJD-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.44
Rot. Bonds2

About methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate

methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate (PubChem CID 14216906) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate
PubChem CID14216906
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)C(C)n1ccc(N)nc1=O
InChIInChI=1S/C8H11N3O3/c1-5(7(12)14-2)11-4-3-6(9)10-8(11)13/h3-5H,1-2H3,(H2,9,10,13)
InChIKeyVOMGEWRUBJDKJD-UHFFFAOYSA-N
XLogP-0.44
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate (CID 14216906) is methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate is COC(=O)C(C)n1ccc(N)nc1=O.
What is the InChIKey of methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate?
The InChIKey is VOMGEWRUBJDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(7(12)14-2)11-4-3-6(9)10-8(11)13/h3-5H,1-2H3,(H2,9,10,13).
What are the key properties of methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate?
methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate has a molecular weight of 197.19 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 14216906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).