ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate

C17H22N2O4 — CID 15172351

IUPACethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
SMILESCCOC(=O)Cc1cccc2[nH]cc(CC(N)C(=O)OCC)c12
InChIInChI=1S/C17H22N2O4/c1-3-22-15(20)9-11-6-5-7-14-16(11)12(10-19-14)8-13(18)17(21)23-4-2/h5-7,10,13,19H,3-4,8-9,18H2,1-2H3
InChIKeyRYFAKUNZIONTTB-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.71
Rot. Bonds7

About ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate

ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate (PubChem CID 15172351) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
PubChem CID15172351
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
SMILESCCOC(=O)Cc1cccc2[nH]cc(CC(N)C(=O)OCC)c12
InChIInChI=1S/C17H22N2O4/c1-3-22-15(20)9-11-6-5-7-14-16(11)12(10-19-14)8-13(18)17(21)23-4-2/h5-7,10,13,19H,3-4,8-9,18H2,1-2H3
InChIKeyRYFAKUNZIONTTB-UHFFFAOYSA-N
XLogP1.71
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 10890233
benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate
CID 102380446
2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
CID 589768
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid;ethane
CID 145142447
ethyl 3-(4-amino-1H-indol-3-yl)-2-nitropropanoate
CID 10967802
2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;ethane
CID 145142426
propyl 2-(4-chloro-1H-indol-3-yl)acetate
CID 71346867

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate (CID 15172351) is ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate is CCOC(=O)Cc1cccc2[nH]cc(CC(N)C(=O)OCC)c12.
What is the InChIKey of ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate?
The InChIKey is RYFAKUNZIONTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-22-15(20)9-11-6-5-7-14-16(11)12(10-19-14)8-13(18)17(21)23-4-2/h5-7,10,13,19H,3-4,8-9,18H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate?
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate has a molecular weight of 318.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate is sourced from PubChem (CID 15172351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).