methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate

C12H17N3O5 — CID 43409773

IUPACmethyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-7-8(11(18)14-12(19)13-7)4-5-9(16)15(2)6-10(17)20-3/h4-6H2,1-3H3,(H2,13,14,18,19)
InChIKeyCMIKYWACWBICEI-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.06
Rot. Bonds5

About methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate

methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate (PubChem CID 43409773) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate
PubChem CID43409773
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-7-8(11(18)14-12(19)13-7)4-5-9(16)15(2)6-10(17)20-3/h4-6H2,1-3H3,(H2,13,14,18,19)
InChIKeyCMIKYWACWBICEI-UHFFFAOYSA-N
XLogP-1.06
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate (CID 43409773) is methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate is COC(=O)CN(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate?
The InChIKey is CMIKYWACWBICEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-7-8(11(18)14-12(19)13-7)4-5-9(16)15(2)6-10(17)20-3/h4-6H2,1-3H3,(H2,13,14,18,19).
What are the key properties of methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate?
methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate has a molecular weight of 283.28 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate is sourced from PubChem (CID 43409773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).