4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid

C9H13N3O2 — CID 82606151

IUPAC4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid
SMILESCc1ncncc1C(CN)CC(=O)O
InChIInChI=1S/C9H13N3O2/c1-6-8(4-11-5-12-6)7(3-10)2-9(13)14/h4-5,7H,2-3,10H2,1H3,(H,13,14)
InChIKeyCEIMQFYDRPYZQU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds4

About 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid

4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid (PubChem CID 82606151) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid
PubChem CID82606151
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid
SMILESCc1ncncc1C(CN)CC(=O)O
InChIInChI=1S/C9H13N3O2/c1-6-8(4-11-5-12-6)7(3-10)2-9(13)14/h4-5,7H,2-3,10H2,1H3,(H,13,14)
InChIKeyCEIMQFYDRPYZQU-UHFFFAOYSA-N
XLogP0.30
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid?
The IUPAC name of 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid (CID 82606151) is 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid is Cc1ncncc1C(CN)CC(=O)O.
What is the InChIKey of 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid?
The InChIKey is CEIMQFYDRPYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-8(4-11-5-12-6)7(3-10)2-9(13)14/h4-5,7H,2-3,10H2,1H3,(H,13,14).
What are the key properties of 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid?
4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methylpyrimidin-5-yl)butanoic acid is sourced from PubChem (CID 82606151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).