ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate

C17H26N2O5 — CID 170885779

IUPACethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(OC)c(N2CCOCC2)cc1OC
InChIInChI=1S/C17H26N2O5/c1-4-24-17(20)13(18)9-12-10-16(22-3)14(11-15(12)21-2)19-5-7-23-8-6-19/h10-11,13H,4-9,18H2,1-3H3
InChIKeyCJJDQSODDYCCHT-UHFFFAOYSA-N
MW338.40 g/mol
LogP0.97
Rot. Bonds7

About ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate

ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate (PubChem CID 170885779) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
PubChem CID170885779
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nameethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(OC)c(N2CCOCC2)cc1OC
InChIInChI=1S/C17H26N2O5/c1-4-24-17(20)13(18)9-12-10-16(22-3)14(11-15(12)21-2)19-5-7-23-8-6-19/h10-11,13H,4-9,18H2,1-3H3
InChIKeyCJJDQSODDYCCHT-UHFFFAOYSA-N
XLogP0.97
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 170885664
methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate
CID 170884270
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877800
ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate
CID 170885745
ethyl 2-amino-3-(2-chloro-5-methyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170885766
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277
2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
CID 170880036

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate (CID 170885779) is ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate is CCOC(=O)C(N)Cc1cc(OC)c(N2CCOCC2)cc1OC.
What is the InChIKey of ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate?
The InChIKey is CJJDQSODDYCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-4-24-17(20)13(18)9-12-10-16(22-3)14(11-15(12)21-2)19-5-7-23-8-6-19/h10-11,13H,4-9,18H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate?
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate has a molecular weight of 338.40 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate is sourced from PubChem (CID 170885779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).