ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate

C14H23N3O4 — CID 61226677

IUPACethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cc(=O)n(C)c(=O)n1C)C(C)C
InChIInChI=1S/C14H23N3O4/c1-6-21-13(19)9-17(10(2)3)8-11-7-12(18)16(5)14(20)15(11)4/h7,10H,6,8-9H2,1-5H3
InChIKeyUOQODZTVKCQISM-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.14
Rot. Bonds6

About ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate

ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate (PubChem CID 61226677) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate
PubChem CID61226677
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cc(=O)n(C)c(=O)n1C)C(C)C
InChIInChI=1S/C14H23N3O4/c1-6-21-13(19)9-17(10(2)3)8-11-7-12(18)16(5)14(20)15(11)4/h7,10H,6,8-9H2,1-5H3
InChIKeyUOQODZTVKCQISM-UHFFFAOYSA-N
XLogP-0.14
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate (CID 61226677) is ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate is CCOC(=O)CN(Cc1cc(=O)n(C)c(=O)n1C)C(C)C.
What is the InChIKey of ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate?
The InChIKey is UOQODZTVKCQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-6-21-13(19)9-17(10(2)3)8-11-7-12(18)16(5)14(20)15(11)4/h7,10H,6,8-9H2,1-5H3.
What are the key properties of ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate?
ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate has a molecular weight of 297.36 g/mol, XLogP of -0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 61226677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).