3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid

C14H19NO5 — CID 119362855

IUPAC3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid
SMILESCOc1ccc(OCC(=O)N(C)CCC(=O)O)cc1C
InChIInChI=1S/C14H19NO5/c1-10-8-11(4-5-12(10)19-3)20-9-13(16)15(2)7-6-14(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyBXITVZCDWIGIHA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.32
Rot. Bonds7

About 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid

3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid (PubChem CID 119362855) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid
PubChem CID119362855
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid
SMILESCOc1ccc(OCC(=O)N(C)CCC(=O)O)cc1C
InChIInChI=1S/C14H19NO5/c1-10-8-11(4-5-12(10)19-3)20-9-13(16)15(2)7-6-14(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyBXITVZCDWIGIHA-UHFFFAOYSA-N
XLogP1.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032339
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015
3-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]propanoic acid
CID 60988844
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
CID 75405754
methyl 4-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]butanoate
CID 60714425
3-[4-(4-chloro-3-methylphenoxy)butanoyl-methylamino]propanoic acid
CID 119362528
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 119658373
3-[[2-(3,4-dimethylphenoxy)acetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212286

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid (CID 119362855) is 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid is COc1ccc(OCC(=O)N(C)CCC(=O)O)cc1C.
What is the InChIKey of 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid?
The InChIKey is BXITVZCDWIGIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10-8-11(4-5-12(10)19-3)20-9-13(16)15(2)7-6-14(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid?
3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).