2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid

C8H10N2O3 — CID 82235585

IUPAC2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1cccnc1=O
InChIInChI=1S/C8H10N2O3/c1-8(2,6(11)12)10-5-3-4-9-7(10)13/h3-5H,1-2H3,(H,11,12)
InChIKeyLSDMYXOVXWGIFR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.06
Rot. Bonds2

About 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid

2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 82235585) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid
PubChem CID82235585
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1cccnc1=O
InChIInChI=1S/C8H10N2O3/c1-8(2,6(11)12)10-5-3-4-9-7(10)13/h3-5H,1-2H3,(H,11,12)
InChIKeyLSDMYXOVXWGIFR-UHFFFAOYSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Oxo-1,2-dihydropyrimidin-1-yl)acetic acid
CID 1096409
(1-Pyrimidyl)propionic acid
CID 129677895
2-(2-oxopyrimidin-1(2H)-yl)propanoic acid
CID 16781247
3-Methyl-2-(2-oxopyrimidin-1-yl)butanoic acid
CID 69581589
2-(2H-pyrimidin-1-yl)butanoic acid
CID 69856873
2-(1-Oxido-2-oxopyrimidin-1-ium-1-yl)propanoic acid
CID 87639153
(2S)-2-(2-oxopyrimidin-1-yl)propanoic acid
CID 89414350
2-methyl-2-(2H-pyrimidin-1-yl)propanoic acid
CID 142402519
1-(2H-pyrimidin-1-yl)cyclopropane-1-carboxylic acid
CID 175707538
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43356265
2-[Ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54901216
2-[Ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid (CID 82235585) is 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid is CC(C)(C(=O)O)n1cccnc1=O.
What is the InChIKey of 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is LSDMYXOVXWGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-8(2,6(11)12)10-5-3-4-9-7(10)13/h3-5H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid?
2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 82235585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).