3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid

C10H15N3O2 — CID 64701760

IUPAC3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid
SMILESCc1nccc(NC(C)(C)CC(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-7-11-5-4-8(12-7)13-10(2,3)6-9(14)15/h4-5H,6H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyVUEKBASWRVLCTO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.45
Rot. Bonds4

About 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid

3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid (PubChem CID 64701760) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid
PubChem CID64701760
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid
SMILESCc1nccc(NC(C)(C)CC(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-7-11-5-4-8(12-7)13-10(2,3)6-9(14)15/h4-5H,6H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyVUEKBASWRVLCTO-UHFFFAOYSA-N
XLogP1.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid (CID 64701760) is 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid is Cc1nccc(NC(C)(C)CC(=O)O)n1.
What is the InChIKey of 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The InChIKey is VUEKBASWRVLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-11-5-4-8(12-7)13-10(2,3)6-9(14)15/h4-5H,6H2,1-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 64701760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).