3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid

C10H13N3O5 — CID 43361001

IUPAC3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-5(2-9(16)17)11-7(14)3-6-4-8(15)13-10(18)12-6/h4-5H,2-3H2,1H3,(H,11,14)(H,16,17)(H2,12,13,15,18)
InChIKeyZTLCXOKDMABFGM-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.41
Rot. Bonds5

About 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid (PubChem CID 43361001) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
PubChem CID43361001
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-5(2-9(16)17)11-7(14)3-6-4-8(15)13-10(18)12-6/h4-5H,2-3H2,1H3,(H,11,14)(H,16,17)(H2,12,13,15,18)
InChIKeyZTLCXOKDMABFGM-UHFFFAOYSA-N
XLogP-1.41
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-hydroxypropyl)acetamide
CID 2149964
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide
CID 60704693
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 2149967
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 2149968
4-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-oxobutanoic acid
CID 43171468
3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
CID 43172716
6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
CID 43352997
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354113
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 43354559

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid (CID 43361001) is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The InChIKey is ZTLCXOKDMABFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-5(2-9(16)17)11-7(14)3-6-4-8(15)13-10(18)12-6/h4-5H,2-3H2,1H3,(H,11,14)(H,16,17)(H2,12,13,15,18).
What are the key properties of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
3-[[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, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43361001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).