tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate

C13H21N3O4 — CID 81463235

IUPACtert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
SMILESCn1cc(CNCC(=O)OC(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4/c1-13(2,3)20-10(17)7-14-6-9-8-15(4)12(19)16(5)11(9)18/h8,14H,6-7H2,1-5H3
InChIKeyUFMLBWZQDWZGSE-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.48
Rot. Bonds4

About tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate

tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate (PubChem CID 81463235) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
PubChem CID81463235
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nametert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
SMILESCn1cc(CNCC(=O)OC(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4/c1-13(2,3)20-10(17)7-14-6-9-8-15(4)12(19)16(5)11(9)18/h8,14H,6-7H2,1-5H3
InChIKeyUFMLBWZQDWZGSE-UHFFFAOYSA-N
XLogP-0.48
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]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 tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate (CID 81463235) is tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate is Cn1cc(CNCC(=O)OC(C)(C)C)c(=O)n(C)c1=O.
What is the InChIKey of tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The InChIKey is UFMLBWZQDWZGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(2,3)20-10(17)7-14-6-9-8-15(4)12(19)16(5)11(9)18/h8,14H,6-7H2,1-5H3.
What are the key properties of tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate has a molecular weight of 283.33 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate is sourced from PubChem (CID 81463235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).