ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate

C16H19N3O5 — CID 67838501

IUPACethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)C(C)(C)NC(=O)Oc1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H19N3O5/c1-5-23-14(21)16(3,4)18-15(22)24-11-9-17-12-8-6-7-10(2)19(12)13(11)20/h6-9H,5H2,1-4H3,(H,18,22)
InChIKeyALMYOYZCBWVBMB-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate

ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate (PubChem CID 67838501) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate
PubChem CID67838501
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Nameethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)C(C)(C)NC(=O)Oc1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H19N3O5/c1-5-23-14(21)16(3,4)18-15(22)24-11-9-17-12-8-6-7-10(2)19(12)13(11)20/h6-9H,5H2,1-4H3,(H,18,22)
InChIKeyALMYOYZCBWVBMB-UHFFFAOYSA-N
XLogP1.43
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate (CID 67838501) is ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate is CCOC(=O)C(C)(C)NC(=O)Oc1cnc2cccc(C)n2c1=O.
What is the InChIKey of ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate?
The InChIKey is ALMYOYZCBWVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-5-23-14(21)16(3,4)18-15(22)24-11-9-17-12-8-6-7-10(2)19(12)13(11)20/h6-9H,5H2,1-4H3,(H,18,22).
What are the key properties of ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate?
ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate has a molecular weight of 333.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 67838501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).