methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate

C12H15NO5 — CID 60637211

IUPACmethyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)COc1ccccc1O
InChIInChI=1S/C12H15NO5/c1-17-12(16)6-7-13-11(15)8-18-10-5-3-2-4-9(10)14/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKeyILFACGGNCPVJNQ-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.45
Rot. Bonds6

About methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate

methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate (PubChem CID 60637211) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate
PubChem CID60637211
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namemethyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)COc1ccccc1O
InChIInChI=1S/C12H15NO5/c1-17-12(16)6-7-13-11(15)8-18-10-5-3-2-4-9(10)14/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKeyILFACGGNCPVJNQ-UHFFFAOYSA-N
XLogP0.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
CID 26635464
N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 106843375
methyl 4-(2-hydroxyphenoxy)butanoate
CID 71402500
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 65113679
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
methyl 3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanoate
CID 60715884
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78812799

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate (CID 60637211) is methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate is COC(=O)CCNC(=O)COc1ccccc1O.
What is the InChIKey of methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate?
The InChIKey is ILFACGGNCPVJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-17-12(16)6-7-13-11(15)8-18-10-5-3-2-4-9(10)14/h2-5,14H,6-8H2,1H3,(H,13,15).
What are the key properties of methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate?
methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate has a molecular weight of 253.25 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 60637211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).