methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate

C11H15N3O5 — CID 55006299

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-3-4-14(6-8(15)19-2)10(17)7-5-12-11(18)13-9(7)16/h5H,3-4,6H2,1-2H3,(H2,12,13,16,18)
InChIKeyITOHQZJKYNSKTM-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.91
Rot. Bonds5

About methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate

methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate (PubChem CID 55006299) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate
PubChem CID55006299
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-3-4-14(6-8(15)19-2)10(17)7-5-12-11(18)13-9(7)16/h5H,3-4,6H2,1-2H3,(H2,12,13,16,18)
InChIKeyITOHQZJKYNSKTM-UHFFFAOYSA-N
XLogP-0.91
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate 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 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate (CID 55006299) is methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate?
The InChIKey is ITOHQZJKYNSKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-4-14(6-8(15)19-2)10(17)7-5-12-11(18)13-9(7)16/h5H,3-4,6H2,1-2H3,(H2,12,13,16,18).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate has a molecular weight of 269.26 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate is sourced from PubChem (CID 55006299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).