2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid

C8H12N2O2 — CID 142402519

IUPAC2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)N1C=CC=NC1
InChIInChI=1S/C8H12N2O2/c1-8(2,7(11)12)10-5-3-4-9-6-10/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyKFDYUOWXIHQLHW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.71
Rot. Bonds2

About 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid

2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid (PubChem CID 142402519) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid
PubChem CID142402519
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)N1C=CC=NC1
InChIInChI=1S/C8H12N2O2/c1-8(2,7(11)12)10-5-3-4-9-6-10/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyKFDYUOWXIHQLHW-UHFFFAOYSA-N
XLogP0.71
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid (CID 142402519) is 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid is CC(C)(C(=O)O)N1C=CC=NC1.
What is the InChIKey of 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid?
The InChIKey is KFDYUOWXIHQLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,7(11)12)10-5-3-4-9-6-10/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid?
2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid has a molecular weight of 168.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 142402519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).