methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate

C9H11N3O5 — CID 60637217

IUPACmethyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16)
InChIKeyOQKCUQQTEDLJJP-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.64
Rot. Bonds4

About methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate

methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate (PubChem CID 60637217) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate
PubChem CID60637217
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16)
InChIKeyOQKCUQQTEDLJJP-UHFFFAOYSA-N
XLogP-1.64
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate (CID 60637217) is methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate?
The InChIKey is OQKCUQQTEDLJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16).
What are the key properties of methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate?
methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate has a molecular weight of 241.20 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate is sourced from PubChem (CID 60637217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).