ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate

C16H26N4O5 — CID 170005956

IUPACethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate
SMILESCCOC(=O)[C@H](NC(=O)CCNc1cc(=O)n(C)c(=O)n1C)C(C)C
InChIInChI=1S/C16H26N4O5/c1-6-25-15(23)14(10(2)3)18-12(21)7-8-17-11-9-13(22)20(5)16(24)19(11)4/h9-10,14,17H,6-8H2,1-5H3,(H,18,21)/t14-/m1/s1
InChIKeyRTYZJSSXLIDWLK-CQSZACIVSA-N
MW354.41 g/mol
LogP-0.41
Rot. Bonds8

About ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate

ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate (PubChem CID 170005956) has the molecular formula C16H26N4O5 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate
PubChem CID170005956
Molecular FormulaC16H26N4O5
Molecular Weight354.41 g/mol
Exact Mass354.19
IUPAC Nameethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate
SMILESCCOC(=O)[C@H](NC(=O)CCNc1cc(=O)n(C)c(=O)n1C)C(C)C
InChIInChI=1S/C16H26N4O5/c1-6-25-15(23)14(10(2)3)18-12(21)7-8-17-11-9-13(22)20(5)16(24)19(11)4/h9-10,14,17H,6-8H2,1-5H3,(H,18,21)/t14-/m1/s1
InChIKeyRTYZJSSXLIDWLK-CQSZACIVSA-N
XLogP-0.41
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate 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 ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate?
The IUPAC name of ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate (CID 170005956) is ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate.
What is the SMILES notation for ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate?
The canonical SMILES for ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate is CCOC(=O)[C@H](NC(=O)CCNc1cc(=O)n(C)c(=O)n1C)C(C)C.
What is the InChIKey of ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate?
The InChIKey is RTYZJSSXLIDWLK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O5/c1-6-25-15(23)14(10(2)3)18-12(21)7-8-17-11-9-13(22)20(5)16(24)19(11)4/h9-10,14,17H,6-8H2,1-5H3,(H,18,21)/t14-/m1/s1.
What are the key properties of ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate?
ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate has a molecular weight of 354.41 g/mol, XLogP of -0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate is sourced from PubChem (CID 170005956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).