3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid

C9H13N3O3 — CID 43818995

IUPAC3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1nc(N)n(CCC(=O)O)c(=O)c1C
InChIInChI=1S/C9H13N3O3/c1-5-6(2)11-9(10)12(8(5)15)4-3-7(13)14/h3-4H2,1-2H3,(H2,10,11)(H,13,14)
InChIKeyLHCGSDPGNRLCAC-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.08
Rot. Bonds3

About 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid

3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 43818995) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID43818995
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1nc(N)n(CCC(=O)O)c(=O)c1C
InChIInChI=1S/C9H13N3O3/c1-5-6(2)11-9(10)12(8(5)15)4-3-7(13)14/h3-4H2,1-2H3,(H2,10,11)(H,13,14)
InChIKeyLHCGSDPGNRLCAC-UHFFFAOYSA-N
XLogP-0.08
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid (CID 43818995) is 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid is Cc1nc(N)n(CCC(=O)O)c(=O)c1C.
What is the InChIKey of 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is LHCGSDPGNRLCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-6(2)11-9(10)12(8(5)15)4-3-7(13)14/h3-4H2,1-2H3,(H2,10,11)(H,13,14).
What are the key properties of 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 43818995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).