2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid

C8H10N2O4 — CID 142768028

IUPAC2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
SMILESCc1c[nH]c(=O)n(C(C)C(=O)O)c1=O
InChIInChI=1S/C8H10N2O4/c1-4-3-9-8(14)10(6(4)11)5(2)7(12)13/h3,5H,1-2H3,(H,9,14)(H,12,13)
InChIKeyHZOBAYIABRXSET-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.51
Rot. Bonds2

About 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid

2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid (PubChem CID 142768028) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
PubChem CID142768028
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
SMILESCc1c[nH]c(=O)n(C(C)C(=O)O)c1=O
InChIInChI=1S/C8H10N2O4/c1-4-3-9-8(14)10(6(4)11)5(2)7(12)13/h3,5H,1-2H3,(H,9,14)(H,12,13)
InChIKeyHZOBAYIABRXSET-UHFFFAOYSA-N
XLogP-0.51
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)acetic acid
CID 510393
L-alanyl-2-(5-fluorouracil-1-yl)-D-glycine
CID 510392
2-amino-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)butanoic acid
CID 289646
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
(2S)-2-(2,2-dimethylpropylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774514
3-(2-Carboxyethyl)thymine
CID 173282
3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
CID 1519563
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
L-alanyl-2-(5-fluorouracil-1-yl)-L-glycine
CID 510391
(2S)-2-amino-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 3246492
(2S)-2-(dimethylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774428

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The IUPAC name of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid (CID 142768028) is 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The canonical SMILES for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid is Cc1c[nH]c(=O)n(C(C)C(=O)O)c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The InChIKey is HZOBAYIABRXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-3-9-8(14)10(6(4)11)5(2)7(12)13/h3,5H,1-2H3,(H,9,14)(H,12,13).
What are the key properties of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid is sourced from PubChem (CID 142768028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).