2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid

C10H13N3O5 — CID 43354404

IUPAC2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(=O)O
InChIInChI=1S/C10H13N3O5/c1-5-6(9(17)13-10(18)12-5)2-3-7(14)11-4-8(15)16/h2-4H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17,18)
InChIKeyCAINPIPXPLVGEB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.49
Rot. Bonds5

About 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid

2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid (PubChem CID 43354404) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid
PubChem CID43354404
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(=O)O
InChIInChI=1S/C10H13N3O5/c1-5-6(9(17)13-10(18)12-5)2-3-7(14)11-4-8(15)16/h2-4H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17,18)
InChIKeyCAINPIPXPLVGEB-UHFFFAOYSA-N
XLogP-1.49
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 ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic 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

5-(delta-Aminobutyl)orotic acid
CID 129870927
5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134136455
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134144587
Ethyl 2-[3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanoylamino]acetate
CID 2748611
2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid
CID 10512148
N-ethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30789724
3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43353632
3-methyl-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43353953
3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
CID 43354743
4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43355004
2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
CID 43355266
1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355536

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid (CID 43354404) is 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid?
The InChIKey is CAINPIPXPLVGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-5-6(9(17)13-10(18)12-5)2-3-7(14)11-4-8(15)16/h2-4H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17,18).
What are the key properties of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid?
2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid is sourced from PubChem (CID 43354404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).