[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate

C12H15NO5 — CID 7854087

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C12H15NO5/c1-8(12(13)15)18-11(14)7-17-10-6-4-3-5-9(10)16-2/h3-6,8H,7H2,1-2H3,(H2,13,15)/t8-/m1/s1
InChIKeyIWARMIZMIVGJMH-MRVPVSSYSA-N
MW253.25 g/mol
LogP0.49
Rot. Bonds6

About [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate (PubChem CID 7854087) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
PubChem CID7854087
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C12H15NO5/c1-8(12(13)15)18-11(14)7-17-10-6-4-3-5-9(10)16-2/h3-6,8H,7H2,1-2H3,(H2,13,15)/t8-/m1/s1
InChIKeyIWARMIZMIVGJMH-MRVPVSSYSA-N
XLogP0.49
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608944
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate
CID 8919855
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608938
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7982005
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8940523
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 55419510
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
ethyl 5-[(2R)-2-[2-(2-methoxyphenoxy)acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 40578765
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525758
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854072

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate (CID 7854087) is [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)O[C@H](C)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is IWARMIZMIVGJMH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8(12(13)15)18-11(14)7-17-10-6-4-3-5-9(10)16-2/h3-6,8H,7H2,1-2H3,(H2,13,15)/t8-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 253.25 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 7854087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).