4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid

C9H13N3O3 — CID 136924151

IUPAC4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid
SMILESCc1c(C(CCN)C(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-5-7(11-4-12-8(5)13)6(2-3-10)9(14)15/h4,6H,2-3,10H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyIKSRQHKNGWFKLZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.40
Rot. Bonds4

About 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid

4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid (PubChem CID 136924151) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid
PubChem CID136924151
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid
SMILESCc1c(C(CCN)C(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-5-7(11-4-12-8(5)13)6(2-3-10)9(14)15/h4,6H,2-3,10H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyIKSRQHKNGWFKLZ-UHFFFAOYSA-N
XLogP-0.40
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid?
The IUPAC name of 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid (CID 136924151) is 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid is Cc1c(C(CCN)C(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid?
The InChIKey is IKSRQHKNGWFKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-7(11-4-12-8(5)13)6(2-3-10)9(14)15/h4,6H,2-3,10H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid?
4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 136924151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).