ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate

C17H25NO4 — CID 67722404

IUPACethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate
SMILESCCOC(=O)[C@H](C)c1ccccc1NCC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-6-21-16(20)12(2)13-9-7-8-10-14(13)18-11-15(19)22-17(3,4)5/h7-10,12,18H,6,11H2,1-5H3/t12-/m1/s1
InChIKeyUURYXYIWENOVDG-GFCCVEGCSA-N
MW307.39 g/mol
LogP3.11
Rot. Bonds6

About ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate

ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate (PubChem CID 67722404) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate
PubChem CID67722404
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nameethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate
SMILESCCOC(=O)[C@H](C)c1ccccc1NCC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-6-21-16(20)12(2)13-9-7-8-10-14(13)18-11-15(19)22-17(3,4)5/h7-10,12,18H,6,11H2,1-5H3/t12-/m1/s1
InChIKeyUURYXYIWENOVDG-GFCCVEGCSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate with MolForge

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Related Compounds

ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate
CID 54217983
tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
CID 60679878
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
tert-butyl 2-(3-chloro-2-methylanilino)acetate
CID 60679121
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
ethyl 2-(2-ethylanilino)acetate
CID 28583397
tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
CID 81378736
tert-butyl (3S)-3-amino-3-(2-bromophenyl)propanoate
CID 11130344
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
tert-butyl 2-[(4,5-dimethyl-1H-pyrrol-3-yl)amino]acetate
CID 174947121
ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
CID 62487923

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate?
The IUPAC name of ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate (CID 67722404) is ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate?
The canonical SMILES for ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate is CCOC(=O)[C@H](C)c1ccccc1NCC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate?
The InChIKey is UURYXYIWENOVDG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25NO4/c1-6-21-16(20)12(2)13-9-7-8-10-14(13)18-11-15(19)22-17(3,4)5/h7-10,12,18H,6,11H2,1-5H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate?
ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate has a molecular weight of 307.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate is sourced from PubChem (CID 67722404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).