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

C10H15N3O2 — CID 148752104

IUPAC(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
SMILESCC[C@@](C)(Nc1ccnc(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-4-10(3,9(14)15)13-8-5-6-11-7(2)12-8/h5-6H,4H2,1-3H3,(H,14,15)(H,11,12,13)/t10-/m1/s1
InChIKeyOEWUSMBMWMIJAQ-SNVBAGLBSA-N
MW209.25 g/mol
LogP1.45
Rot. Bonds4

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

(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid (PubChem CID 148752104) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
PubChem CID148752104
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
SMILESCC[C@@](C)(Nc1ccnc(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-4-10(3,9(14)15)13-8-5-6-11-7(2)12-8/h5-6H,4H2,1-3H3,(H,14,15)(H,11,12,13)/t10-/m1/s1
InChIKeyOEWUSMBMWMIJAQ-SNVBAGLBSA-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 (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid (CID 148752104) is (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid is CC[C@@](C)(Nc1ccnc(C)n1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The InChIKey is OEWUSMBMWMIJAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-10(3,9(14)15)13-8-5-6-11-7(2)12-8/h5-6H,4H2,1-3H3,(H,14,15)(H,11,12,13)/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
(2R)-2-methyl-2-[(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 (2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 148752104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).