ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate

C17H23NO7 — CID 67247207

IUPACethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C17H23NO7/c1-5-23-15(21)10-24-11-6-7-12(13(19)8-11)14(20)9-18-16(22)25-17(2,3)4/h6-8,19H,5,9-10H2,1-4H3,(H,18,22)
InChIKeyAYMGBRBLPDDFJJ-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.04
Rot. Bonds7

About ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate

ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate (PubChem CID 67247207) has the molecular formula C17H23NO7 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
PubChem CID67247207
Molecular FormulaC17H23NO7
Molecular Weight353.37 g/mol
Exact Mass353.15
IUPAC Nameethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C17H23NO7/c1-5-23-15(21)10-24-11-6-7-12(13(19)8-11)14(20)9-18-16(22)25-17(2,3)4/h6-8,19H,5,9-10H2,1-4H3,(H,18,22)
InChIKeyAYMGBRBLPDDFJJ-UHFFFAOYSA-N
XLogP2.04
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[3-hydroxy-2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
CID 67246942
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
CID 67248288
ethyl 2-[[(7S)-7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 54442037
methyl 2-hydroxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 3316729
tert-butyl 2-[3-hydroxy-4-(4-methylbenzoyl)phenoxy]acetate
CID 166860175
ethyl 2-[4-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenoxy]acetate
CID 54020369
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 146550205
tert-butyl N-[2-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoethyl]carbamate
CID 178024723
ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
CID 13400689
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
ethyl 2-[[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
CID 11494280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate (CID 67247207) is ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)c(O)c1.
What is the InChIKey of ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The InChIKey is AYMGBRBLPDDFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO7/c1-5-23-15(21)10-24-11-6-7-12(13(19)8-11)14(20)9-18-16(22)25-17(2,3)4/h6-8,19H,5,9-10H2,1-4H3,(H,18,22).
What are the key properties of ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate has a molecular weight of 353.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate is sourced from PubChem (CID 67247207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).