2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid

C9H11N3O5 — CID 43355430

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4(8(15)16)10-6(13)2-5-3-7(14)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17)
InChIKeyCLBRVWOVBBZILQ-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.80
Rot. Bonds4

About 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid (PubChem CID 43355430) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
PubChem CID43355430
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4(8(15)16)10-6(13)2-5-3-7(14)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17)
InChIKeyCLBRVWOVBBZILQ-UHFFFAOYSA-N
XLogP-1.80
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxypropyl)acetamide
CID 16195692
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
2-(2,4-dioxo-1H-pyrimidin-6-yl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
CID 91074666
3-(6-Methyluracilyl)alanine
CID 129691432
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788561
3-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-(2,2,2-trifluoroacetamido)propanoic acid
CID 165926104
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
Alanine, N-orotoyl-
CID 24691931
2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid
CID 141429908
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 2149965

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid (CID 43355430) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The InChIKey is CLBRVWOVBBZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-4(8(15)16)10-6(13)2-5-3-7(14)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43355430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).