2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid

C14H19NO4 — CID 112513634

IUPAC2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
SMILESCOc1cc(C)c(C(=O)CNC(C)C(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-8-6-13(19-4)9(2)5-11(8)12(16)7-15-10(3)14(17)18/h5-6,10,15H,7H2,1-4H3,(H,17,18)
InChIKeyGLEHZIGDWHUQIK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds6

About 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid

2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid (PubChem CID 112513634) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
PubChem CID112513634
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
SMILESCOc1cc(C)c(C(=O)CNC(C)C(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-8-6-13(19-4)9(2)5-11(8)12(16)7-15-10(3)14(17)18/h5-6,10,15H,7H2,1-4H3,(H,17,18)
InChIKeyGLEHZIGDWHUQIK-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 98015033
2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513642
1-(4-methoxy-2,5-dimethylphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589496
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)methylamino]propanoic acid
CID 83194866
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,3-dione
CID 94262228
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
4-(4,5-dimethoxy-2-methylphenyl)-2-methyl-4-oxobutanoic acid
CID 116918432
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]propanoic acid
CID 82480575
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,4-dione
CID 94686157
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butane-1,3-dione
CID 98579550
2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid (CID 112513634) is 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid is COc1cc(C)c(C(=O)CNC(C)C(=O)O)cc1C.
What is the InChIKey of 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is GLEHZIGDWHUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-6-13(19-4)9(2)5-11(8)12(16)7-15-10(3)14(17)18/h5-6,10,15H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid?
2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 112513634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).