methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate

C16H24N2O3 — CID 170884277

IUPACmethyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1c(C)cc(N2CCOCC2)cc1C
InChIInChI=1S/C16H24N2O3/c1-11-8-13(18-4-6-21-7-5-18)9-12(2)14(11)10-15(17)16(19)20-3/h8-9,15H,4-7,10,17H2,1-3H3
InChIKeyDBDHGKZUJCVJKQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate

methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate (PubChem CID 170884277) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
PubChem CID170884277
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1c(C)cc(N2CCOCC2)cc1C
InChIInChI=1S/C16H24N2O3/c1-11-8-13(18-4-6-21-7-5-18)9-12(2)14(11)10-15(17)16(19)20-3/h8-9,15H,4-7,10,17H2,1-3H3
InChIKeyDBDHGKZUJCVJKQ-UHFFFAOYSA-N
XLogP1.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate
CID 170883513
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567
methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
CID 117380930
methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate
CID 170884270
methyl 2-amino-3-(3-butan-2-yl-4-morpholin-4-ylphenyl)propanoate
CID 170884279
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
methyl 2-amino-3-(2-hydroxy-4,6-dimethylphenyl)propanoate
CID 155822076
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 170885664
ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate
CID 86699744
methyl 2-amino-3-(2,4,6-trihydroxyphenyl)propanoate
CID 170883280
2,3-dimethyl-5-morpholin-4-ylbenzoic acid
CID 79694761

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate (CID 170884277) is methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate is COC(=O)C(N)Cc1c(C)cc(N2CCOCC2)cc1C.
What is the InChIKey of methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate?
The InChIKey is DBDHGKZUJCVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-8-13(18-4-6-21-7-5-18)9-12(2)14(11)10-15(17)16(19)20-3/h8-9,15H,4-7,10,17H2,1-3H3.
What are the key properties of methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate?
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate has a molecular weight of 292.38 g/mol, XLogP of 1.18, 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-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate is sourced from PubChem (CID 170884277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).