(2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid

C7H8N2O4 — CID 129371690

IUPAC(2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-4(6(11)12)9-3-2-5(10)8-7(9)13/h2-4H,1H3,(H,11,12)(H,8,10,13)/t4-/m0/s1
InChIKeyGOXTUJODUQCALW-BYPYZUCNSA-N
MW184.15 g/mol
LogP-0.82
Rot. Bonds2

About (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid

(2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 129371690) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid
PubChem CID129371690
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name(2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-4(6(11)12)9-3-2-5(10)8-7(9)13/h2-4H,1H3,(H,11,12)(H,8,10,13)/t4-/m0/s1
InChIKeyGOXTUJODUQCALW-BYPYZUCNSA-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

Analyze (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(S)-2-Amino-3-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
CID 11095939
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
1-(2-Carboxyethyl)uracil
CID 96419
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid (CID 129371690) is (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid is C[C@@H](C(=O)O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is GOXTUJODUQCALW-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4(6(11)12)9-3-2-5(10)8-7(9)13/h2-4H,1H3,(H,11,12)(H,8,10,13)/t4-/m0/s1.
What are the key properties of (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid?
(2S)-2-(2,4-dioxopyrimidin-1-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 (2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 129371690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).