ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate

C15H24N2O5 — CID 140981420

IUPACethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)CC1(O)NC=CC=C1NCC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O5/c1-5-21-12(18)9-15(20)11(7-6-8-17-15)16-10-13(19)22-14(2,3)4/h6-8,16-17,20H,5,9-10H2,1-4H3
InChIKeySONWIACTNAKDJM-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.56
Rot. Bonds6

About ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate

ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate (PubChem CID 140981420) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate
PubChem CID140981420
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Nameethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)CC1(O)NC=CC=C1NCC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O5/c1-5-21-12(18)9-15(20)11(7-6-8-17-15)16-10-13(19)22-14(2,3)4/h6-8,16-17,20H,5,9-10H2,1-4H3
InChIKeySONWIACTNAKDJM-UHFFFAOYSA-N
XLogP0.56
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate
CID 140981408
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
CID 91619483
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]indigol-1-yl]acetate
CID 142682531
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 143675559
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
tert-butyl 2-[(4,5-dimethyl-1H-pyrrol-3-yl)amino]acetate
CID 174947121
ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate
CID 67722404
tert-butyl 2-[4-(2-ethoxy-2-oxoethoxy)-3-fluoroanilino]acetate
CID 69220601
5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid
CID 69299589
ethyl 2-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 22080566
tert-butyl 3-[bis(2-ethoxy-2-oxoethyl)amino]-3-oxopropanoate
CID 142661565
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate (CID 140981420) is ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate is CCOC(=O)CC1(O)NC=CC=C1NCC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate?
The InChIKey is SONWIACTNAKDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-5-21-12(18)9-15(20)11(7-6-8-17-15)16-10-13(19)22-14(2,3)4/h6-8,16-17,20H,5,9-10H2,1-4H3.
What are the key properties of ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate?
ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate has a molecular weight of 312.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 140981420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).