methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate

C14H18Cl2N2O3 — CID 170884270

IUPACmethyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1cc(Cl)c(N2CCOCC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-20-14(19)12(17)7-9-6-11(16)13(8-10(9)15)18-2-4-21-5-3-18/h6,8,12H,2-5,7,17H2,1H3
InChIKeyJOYGTHPXPAIFOG-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.87
Rot. Bonds4

About methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate

methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate (PubChem CID 170884270) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.21 g/mol. Its IUPAC name is methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate
PubChem CID170884270
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.21 g/mol
Exact Mass332.07
IUPAC Namemethyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1cc(Cl)c(N2CCOCC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-20-14(19)12(17)7-9-6-11(16)13(8-10(9)15)18-2-4-21-5-3-18/h6,8,12H,2-5,7,17H2,1H3
InChIKeyJOYGTHPXPAIFOG-UHFFFAOYSA-N
XLogP1.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate
CID 170885745
3-(2,5-dichloro-4-morpholin-4-ylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881368
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277
methyl 2-amino-3-(3-butan-2-yl-4-morpholin-4-ylphenyl)propanoate
CID 170884279
ethyl 2-amino-3-(2-chloro-5-methyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170885766
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
CID 170885779
methyl (2S)-2-amino-3-(4-amino-2-chloro-5-methylphenyl)propanoate
CID 171238553
methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884134
methyl (2S)-2-amino-3-(4-amino-2-chlorophenyl)propanoate
CID 171238434
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate (CID 170884270) is methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate is COC(=O)C(N)Cc1cc(Cl)c(N2CCOCC2)cc1Cl.
What is the InChIKey of methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate?
The InChIKey is JOYGTHPXPAIFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-20-14(19)12(17)7-9-6-11(16)13(8-10(9)15)18-2-4-21-5-3-18/h6,8,12H,2-5,7,17H2,1H3.
What are the key properties of methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate?
methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate has a molecular weight of 333.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate is sourced from PubChem (CID 170884270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).