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

C7H8N2O4 — CID 174487135

IUPAC2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
SMILESCC(C(=O)O)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-4(6(11)12)9-5(10)2-3-8-7(9)13/h2-4H,1H3,(H,8,13)(H,11,12)
InChIKeyZFJKJRMHMIQCBG-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.82
Rot. Bonds2

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

2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid (PubChem CID 174487135) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
PubChem CID174487135
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
SMILESCC(C(=O)O)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-4(6(11)12)9-5(10)2-3-8-7(9)13/h2-4H,1H3,(H,8,13)(H,11,12)
InChIKeyZFJKJRMHMIQCBG-UHFFFAOYSA-N
XLogP-0.82
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Uracil-1-yl)-L-alanine
CID 440053
DL-Willardiine
CID 5123
2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 255733
2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
CID 4479246
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
(alphaS)-alpha-Amino-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinepropanoic acid
CID 167983
2-(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 16774570
(S)-3-(2-amino-2-carboxyethyl)-1-carboxymethylpyrimidine-2,4-dione
CID 10988917
(2R)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11010618
(2S)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11054302
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid (CID 174487135) is 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid is CC(C(=O)O)n1c(=O)cc[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
The InChIKey is ZFJKJRMHMIQCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4(6(11)12)9-5(10)2-3-8-7(9)13/h2-4H,1H3,(H,8,13)(H,11,12).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid?
2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid has a molecular weight of 184.15 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid is sourced from PubChem (CID 174487135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).