2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid

C9H13N3O4 — CID 79367410

IUPAC2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCOc1nc(C)cc(=O)n1CC(N)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-5-3-7(13)12(9(11-5)16-2)4-6(10)8(14)15/h3,6H,4,10H2,1-2H3,(H,14,15)
InChIKeyXNYMKESGTYDRPU-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.03
Rot. Bonds4

About 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid

2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 79367410) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID79367410
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCOc1nc(C)cc(=O)n1CC(N)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-5-3-7(13)12(9(11-5)16-2)4-6(10)8(14)15/h3,6H,4,10H2,1-2H3,(H,14,15)
InChIKeyXNYMKESGTYDRPU-UHFFFAOYSA-N
XLogP-1.03
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid (CID 79367410) is 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid is COc1nc(C)cc(=O)n1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is XNYMKESGTYDRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5-3-7(13)12(9(11-5)16-2)4-6(10)8(14)15/h3,6H,4,10H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 79367410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).