propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate

C15H24N4O5 — CID 170005298

IUPACpropan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)CCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H24N4O5/c1-10(2)24-14(22)6-8-17-12(20)5-7-16-11-9-13(21)19(4)15(23)18(11)3/h9-10,16H,5-8H2,1-4H3,(H,17,20)
InChIKeyPCIHMJQNCGFNEV-UHFFFAOYSA-N
MW340.38 g/mol
LogP-0.66
Rot. Bonds8

About propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate

propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate (PubChem CID 170005298) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate
PubChem CID170005298
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Namepropan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)CCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H24N4O5/c1-10(2)24-14(22)6-8-17-12(20)5-7-16-11-9-13(21)19(4)15(23)18(11)3/h9-10,16H,5-8H2,1-4H3,(H,17,20)
InChIKeyPCIHMJQNCGFNEV-UHFFFAOYSA-N
XLogP-0.66
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]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 propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate?
The IUPAC name of propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate (CID 170005298) is propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate?
The canonical SMILES for propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate is CC(C)OC(=O)CCNC(=O)CCNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate?
The InChIKey is PCIHMJQNCGFNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-10(2)24-14(22)6-8-17-12(20)5-7-16-11-9-13(21)19(4)15(23)18(11)3/h9-10,16H,5-8H2,1-4H3,(H,17,20).
What are the key properties of propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate?
propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate has a molecular weight of 340.38 g/mol, XLogP of -0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]propanoate is sourced from PubChem (CID 170005298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).