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

C8H11N3O3 — CID 65443611

IUPAC2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1cc(=O)n(CC(N)C(=O)O)cn1
InChIInChI=1S/C8H11N3O3/c1-5-2-7(12)11(4-10-5)3-6(9)8(13)14/h2,4,6H,3,9H2,1H3,(H,13,14)
InChIKeyVJOCFRDHCZOLMD-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.04
Rot. Bonds3

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

2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 65443611) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID65443611
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1cc(=O)n(CC(N)C(=O)O)cn1
InChIInChI=1S/C8H11N3O3/c1-5-2-7(12)11(4-10-5)3-6(9)8(13)14/h2,4,6H,3,9H2,1H3,(H,13,14)
InChIKeyVJOCFRDHCZOLMD-UHFFFAOYSA-N
XLogP-1.04
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid (CID 65443611) is 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid is Cc1cc(=O)n(CC(N)C(=O)O)cn1.
What is the InChIKey of 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is VJOCFRDHCZOLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5-2-7(12)11(4-10-5)3-6(9)8(13)14/h2,4,6H,3,9H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 65443611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).