2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid

C11H16N2O3 — CID 114987523

IUPAC2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
SMILESCC(C)CC(C)(C(=O)O)n1cccnc1=O
InChIInChI=1S/C11H16N2O3/c1-8(2)7-11(3,9(14)15)13-6-4-5-12-10(13)16/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyHXUOQYUUOJLALM-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.09
Rot. Bonds4

About 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid

2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid (PubChem CID 114987523) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
PubChem CID114987523
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
SMILESCC(C)CC(C)(C(=O)O)n1cccnc1=O
InChIInChI=1S/C11H16N2O3/c1-8(2)7-11(3,9(14)15)13-6-4-5-12-10(13)16/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyHXUOQYUUOJLALM-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-(2-oxopyrimidin-1-yl)butanoic acid
CID 69581589
(2S)-4-methyl-2-[methyl(2H-pyrimidin-1-ylmethoxycarbonyl)amino]pentanoic acid
CID 142635086
(2S)-4-methyl-2-(2H-pyrimidin-1-ylmethoxycarbonylamino)pentanoic acid
CID 142635089
methyl (2S)-4-methyl-2-[methyl(2H-pyrimidin-1-ylmethoxycarbonyl)amino]pentanoate
CID 142635094
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
2-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43618689
(2S)-4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136658
(2R)-4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 78975479
1-(2-Oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235586
2-Cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid
CID 82237015
2-Methyl-2-(2-oxopyrimidin-1-yl)butanoic acid
CID 82237237
2-Ethyl-2-(2-oxopyrimidin-1-yl)butanoic acid
CID 82239096

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid (CID 114987523) is 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid is CC(C)CC(C)(C(=O)O)n1cccnc1=O.
What is the InChIKey of 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid?
The InChIKey is HXUOQYUUOJLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(2)7-11(3,9(14)15)13-6-4-5-12-10(13)16/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid?
2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 114987523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).