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

C13H17NO5 — CID 82018109

IUPACmethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)COc1cccc(OC)c1
InChIInChI=1S/C13H17NO5/c1-17-10-4-3-5-11(8-10)19-9-12(15)14-7-6-13(16)18-2/h3-5,8H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyQWACAHNVDPFHDE-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.75
Rot. Bonds7

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

methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate (PubChem CID 82018109) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
PubChem CID82018109
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)COc1cccc(OC)c1
InChIInChI=1S/C13H17NO5/c1-17-10-4-3-5-11(8-10)19-9-12(15)14-7-6-13(16)18-2/h3-5,8H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyQWACAHNVDPFHDE-UHFFFAOYSA-N
XLogP0.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 47437768
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
N'-[2-(3-methoxyphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3128415
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 4991796
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate (CID 82018109) is methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate is COC(=O)CCNC(=O)COc1cccc(OC)c1.
What is the InChIKey of methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate?
The InChIKey is QWACAHNVDPFHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-17-10-4-3-5-11(8-10)19-9-12(15)14-7-6-13(16)18-2/h3-5,8H,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate?
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate has a molecular weight of 267.28 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 82018109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).