ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate

C15H20N2O5 — CID 95762944

IUPACethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C15H20N2O5/c1-3-21-15(20)10(2)17-14(19)9-22-12-6-4-11(5-7-12)8-13(16)18/h4-7,10H,3,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyFVNQNRNJOUFNIX-JTQLQIEISA-N
MW308.33 g/mol
LogP0.16
Rot. Bonds8

About ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate

ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate (PubChem CID 95762944) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate
PubChem CID95762944
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C15H20N2O5/c1-3-21-15(20)10(2)17-14(19)9-22-12-6-4-11(5-7-12)8-13(16)18/h4-7,10H,3,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyFVNQNRNJOUFNIX-JTQLQIEISA-N
XLogP0.16
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 48680471
tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 80998582
2-[4-[2-oxo-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 86150201
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489863
(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
CID 2333588
ethyl (2S)-2-[[2-(4-hydroxyphenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 70496078
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842869
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
CID 71820840
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate?
The IUPAC name of ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate (CID 95762944) is ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate is CCOC(=O)[C@H](C)NC(=O)COc1ccc(CC(N)=O)cc1.
What is the InChIKey of ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate?
The InChIKey is FVNQNRNJOUFNIX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O5/c1-3-21-15(20)10(2)17-14(19)9-22-12-6-4-11(5-7-12)8-13(16)18/h4-7,10H,3,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate?
ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate has a molecular weight of 308.33 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate is sourced from PubChem (CID 95762944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).