ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate

C13H20N2O5 — CID 62028662

IUPACethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)CC(=O)n1oc(C)cc1=O
InChIInChI=1S/C13H20N2O5/c1-4-6-14(9-13(18)19-5-2)8-12(17)15-11(16)7-10(3)20-15/h7H,4-6,8-9H2,1-3H3
InChIKeyKWMANCJPNAHBER-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.67
Rot. Bonds7

About ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate

ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate (PubChem CID 62028662) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate
PubChem CID62028662
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)CC(=O)n1oc(C)cc1=O
InChIInChI=1S/C13H20N2O5/c1-4-6-14(9-13(18)19-5-2)8-12(17)15-11(16)7-10(3)20-15/h7H,4-6,8-9H2,1-3H3
InChIKeyKWMANCJPNAHBER-UHFFFAOYSA-N
XLogP0.67
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one
CID 62116186
ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
CID 83057034
ethyl 2-[(4-bromothiophen-2-yl)methyl-propylamino]acetate
CID 62026565
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate
CID 55207786
ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate
CID 65446307
ethyl 2-[(4-chloro-2-fluorophenyl)methyl-propylamino]acetate
CID 114857982
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate
CID 79465658
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate (CID 62028662) is ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)OCC)CC(=O)n1oc(C)cc1=O.
What is the InChIKey of ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate?
The InChIKey is KWMANCJPNAHBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-4-6-14(9-13(18)19-5-2)8-12(17)15-11(16)7-10(3)20-15/h7H,4-6,8-9H2,1-3H3.
What are the key properties of ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate?
ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate has a molecular weight of 284.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate is sourced from PubChem (CID 62028662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).