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

C13H19N3O5 — CID 61409417

IUPACmethyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O5/c1-4-16(7-11(18)21-3)10(17)6-5-9-8(2)14-13(20)15-12(9)19/h4-7H2,1-3H3,(H2,14,15,19,20)
InChIKeyNTSREENESANXRD-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.67
Rot. Bonds6

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

methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate (PubChem CID 61409417) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate
PubChem CID61409417
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Namemethyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O5/c1-4-16(7-11(18)21-3)10(17)6-5-9-8(2)14-13(20)15-12(9)19/h4-7H2,1-3H3,(H2,14,15,19,20)
InChIKeyNTSREENESANXRD-UHFFFAOYSA-N
XLogP-0.67
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate (CID 61409417) is methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate is CCN(CC(=O)OC)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate?
The InChIKey is NTSREENESANXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-4-16(7-11(18)21-3)10(17)6-5-9-8(2)14-13(20)15-12(9)19/h4-7H2,1-3H3,(H2,14,15,19,20).
What are the key properties of methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate?
methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate has a molecular weight of 297.31 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetate is sourced from PubChem (CID 61409417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).