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

C10H13N3O5 — CID 43355166

IUPAC4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c14-7(11-3-1-2-9(16)17)4-6-5-8(15)13-10(18)12-6/h5H,1-4H2,(H,11,14)(H,16,17)(H2,12,13,15,18)
InChIKeyBXVOIZAFPSTRHT-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.41
Rot. Bonds6

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

4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid (PubChem CID 43355166) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
PubChem CID43355166
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c14-7(11-3-1-2-9(16)17)4-6-5-8(15)13-10(18)12-6/h5H,1-4H2,(H,11,14)(H,16,17)(H2,12,13,15,18)
InChIKeyBXVOIZAFPSTRHT-UHFFFAOYSA-N
XLogP-1.41
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
CID 65223162
4-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-oxobutanoic acid
CID 43171468
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700119
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 106250518
6-(2-oxobutyl)-1H-pyrimidine-2,4-dione
CID 83856785
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209203
2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 54946078
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 106436139
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 61151688
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid
CID 115291699
4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 119352749

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid (CID 43355166) is 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid is O=C(O)CCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The InChIKey is BXVOIZAFPSTRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-7(11-3-1-2-9(16)17)4-6-5-8(15)13-10(18)12-6/h5H,1-4H2,(H,11,14)(H,16,17)(H2,12,13,15,18).
What are the key properties of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43355166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).