2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

C11H16N2O4 — CID 28690492

IUPAC2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESCC(C)CCn1c(=O)[nH]cc(CC(=O)O)c1=O
InChIInChI=1S/C11H16N2O4/c1-7(2)3-4-13-10(16)8(5-9(14)15)6-12-11(13)17/h6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyYQRZCZKIVSVFCA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.21
Rot. Bonds5

About 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 28690492) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID28690492
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESCC(C)CCn1c(=O)[nH]cc(CC(=O)O)c1=O
InChIInChI=1S/C11H16N2O4/c1-7(2)3-4-13-10(16)8(5-9(14)15)6-12-11(13)17/h6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyYQRZCZKIVSVFCA-UHFFFAOYSA-N
XLogP0.21
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 908097
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CID 53740687
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CID 54254925
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CID 69731420
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CID 118238904
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CID 118611365
CID 118611365

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (CID 28690492) is 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is CC(C)CCn1c(=O)[nH]cc(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is YQRZCZKIVSVFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)3-4-13-10(16)8(5-9(14)15)6-12-11(13)17/h6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15).
What are the key properties of 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 28690492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).