methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate

C15H21NO5 — CID 103958083

IUPACmethyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CCOc1c(C)cccc1C
InChIInChI=1S/C15H21NO5/c1-10-5-4-6-11(2)14(10)21-8-7-13(18)16-9-12(17)15(19)20-3/h4-6,12,17H,7-9H2,1-3H3,(H,16,18)
InChIKeyAAMXRJFUULWSIW-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.72
Rot. Bonds7

About methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate

methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate (PubChem CID 103958083) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate
PubChem CID103958083
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CCOc1c(C)cccc1C
InChIInChI=1S/C15H21NO5/c1-10-5-4-6-11(2)14(10)21-8-7-13(18)16-9-12(17)15(19)20-3/h4-6,12,17H,7-9H2,1-3H3,(H,16,18)
InChIKeyAAMXRJFUULWSIW-UHFFFAOYSA-N
XLogP0.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate
CID 103957989
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
methyl 2-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 103957800
3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide
CID 116820445
2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084522
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
CID 113358708
3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115969023
(2S)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136603

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate (CID 103958083) is methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)CCOc1c(C)cccc1C.
What is the InChIKey of methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate?
The InChIKey is AAMXRJFUULWSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10-5-4-6-11(2)14(10)21-8-7-13(18)16-9-12(17)15(19)20-3/h4-6,12,17H,7-9H2,1-3H3,(H,16,18).
What are the key properties of methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate?
methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate has a molecular weight of 295.34 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate is sourced from PubChem (CID 103958083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).