2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid

C8H9N3O5 — CID 24691931

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H9N3O5/c1-3(7(14)15)9-6(13)4-2-5(12)11-8(16)10-4/h2-3H,1H3,(H,9,13)(H,14,15)(H2,10,11,12,16)
InChIKeyCPNJTGUXQYSDQX-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.73
Rot. Bonds3

About 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 24691931) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID24691931
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H9N3O5/c1-3(7(14)15)9-6(13)4-2-5(12)11-8(16)10-4/h2-3H,1H3,(H,9,13)(H,14,15)(H2,10,11,12,16)
InChIKeyCPNJTGUXQYSDQX-UHFFFAOYSA-N
XLogP-1.73
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)formamido]propanoic acid
CID 1272738
N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]glycine
CID 1202229
methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
CID 60637217
(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
Orotyl-glycyl-glycine
CID 12921164
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
2-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]acetic acid
CID 1202228
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 56774539
(4-Methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-YL)-acetic acid
CID 13926003
N-[1-Hydroxy-2-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propylidene]alanine
CID 196362

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid (CID 24691931) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid is CC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is CPNJTGUXQYSDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c1-3(7(14)15)9-6(13)4-2-5(12)11-8(16)10-4/h2-3H,1H3,(H,9,13)(H,14,15)(H2,10,11,12,16).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 227.18 g/mol, XLogP of -1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 24691931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).