2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid

C10H14N2O4 — CID 83852490

IUPAC2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid
SMILESCC(C)(C)n1c(CC(=O)O)cc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-10(2,3)12-6(5-8(14)15)4-7(13)11-9(12)16/h4H,5H2,1-3H3,(H,14,15)(H,11,13,16)
InChIKeyBCFGBYCVVSAKPR-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.08
Rot. Bonds2

About 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid

2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid (PubChem CID 83852490) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid
PubChem CID83852490
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid
SMILESCC(C)(C)n1c(CC(=O)O)cc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-10(2,3)12-6(5-8(14)15)4-7(13)11-9(12)16/h4H,5H2,1-3H3,(H,14,15)(H,11,13,16)
InChIKeyBCFGBYCVVSAKPR-UHFFFAOYSA-N
XLogP-0.08
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Uracil-4-acetic acid
CID 73271
2-(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)acetic acid, oxamethane
CID 18529801
Methyl 2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetate
CID 21784458
2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 70284120
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
CID 3025900
2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
CID 6951215
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43354912
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008446
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid
CID 55105061
3-[tert-butyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 60826797
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830733

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid (CID 83852490) is 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid is CC(C)(C)n1c(CC(=O)O)cc(=O)[nH]c1=O.
What is the InChIKey of 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid?
The InChIKey is BCFGBYCVVSAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(2,3)12-6(5-8(14)15)4-7(13)11-9(12)16/h4H,5H2,1-3H3,(H,14,15)(H,11,13,16).
What are the key properties of 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid?
2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).