ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate

C14H20N2O6 — CID 19862602

IUPACethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)Oc1c(C)n(CCOC)ccc1=O
InChIInChI=1S/C14H20N2O6/c1-4-21-12(18)9-15-14(19)22-13-10(2)16(7-8-20-3)6-5-11(13)17/h5-6H,4,7-9H2,1-3H3,(H,15,19)
InChIKeyBRMJUCPIFQAMNK-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.45
Rot. Bonds7

About ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate

ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate (PubChem CID 19862602) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
PubChem CID19862602
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Nameethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)Oc1c(C)n(CCOC)ccc1=O
InChIInChI=1S/C14H20N2O6/c1-4-21-12(18)9-15-14(19)22-13-10(2)16(7-8-20-3)6-5-11(13)17/h5-6H,4,7-9H2,1-3H3,(H,15,19)
InChIKeyBRMJUCPIFQAMNK-UHFFFAOYSA-N
XLogP0.45
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate
CID 19862585
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(3-ethoxypropyl)-2-methyl-4(1H)-pyridinone
CID 19862586
3-(ethoxycarbonylmethylaminocarbonyloxy)-1,2-dimethyl-4(1H)-pyridinone
CID 19862590
Ethyl 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
CID 19862595
Ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862596
Ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862597
Ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
CID 19862599
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(3-ethoxypropyl)-2-methyl-4(1H)-pyridinone hydrochloride
CID 19862601
[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
CID 19862604
3-(ethoxycarbonylmethylaminocarbonyloxy)-2-ethyl-1-methyl-4(1H)-pyridinone
CID 19862606
Ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate
CID 19862607
[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
CID 19862608

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The IUPAC name of ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate (CID 19862602) is ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate is CCOC(=O)CNC(=O)Oc1c(C)n(CCOC)ccc1=O.
What is the InChIKey of ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The InChIKey is BRMJUCPIFQAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-4-21-12(18)9-15-14(19)22-13-10(2)16(7-8-20-3)6-5-11(13)17/h5-6H,4,7-9H2,1-3H3,(H,15,19).
What are the key properties of ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate has a molecular weight of 312.32 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate is sourced from PubChem (CID 19862602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).