methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate

C13H17NO5 — CID 113257879

IUPACmethyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)COc1ccccc1OC
InChIInChI=1S/C13H17NO5/c1-9(13(16)18-3)14-12(15)8-19-11-7-5-4-6-10(11)17-2/h4-7,9H,8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyTXZKFMFSJBESSQ-SECBINFHSA-N
MW267.28 g/mol
LogP0.75
Rot. Bonds6

About methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate

methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate (PubChem CID 113257879) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
PubChem CID113257879
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)COc1ccccc1OC
InChIInChI=1S/C13H17NO5/c1-9(13(16)18-3)14-12(15)8-19-11-7-5-4-6-10(11)17-2/h4-7,9H,8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyTXZKFMFSJBESSQ-SECBINFHSA-N
XLogP0.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-(2-methoxyphenoxy)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 110347464
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate
CID 110348517
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate (CID 113257879) is methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)COc1ccccc1OC.
What is the InChIKey of methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The InChIKey is TXZKFMFSJBESSQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9(13(16)18-3)14-12(15)8-19-11-7-5-4-6-10(11)17-2/h4-7,9H,8H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate has a molecular weight of 267.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 113257879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).