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

C14H19NO4 — CID 110834445

IUPAC2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
SMILESCOc1ccc(CC(=O)N(C)C(C)C(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-9-7-11(5-6-12(9)19-4)8-13(16)15(3)10(2)14(17)18/h5-7,10H,8H2,1-4H3,(H,17,18)
InChIKeyVTLNVMLKONPMHV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds5

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

2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid (PubChem CID 110834445) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
PubChem CID110834445
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
SMILESCOc1ccc(CC(=O)N(C)C(C)C(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-9-7-11(5-6-12(9)19-4)8-13(16)15(3)10(2)14(17)18/h5-7,10H,8H2,1-4H3,(H,17,18)
InChIKeyVTLNVMLKONPMHV-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62626750
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
(2S)-2-(4-methoxy-N,3-dimethylanilino)propanoic acid
CID 91455693
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
1-chloro-3-(4-methoxy-3-methylphenyl)propan-2-one
CID 134627536
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
N-(1-chloropropan-2-yl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 104555801
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid (CID 110834445) is 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid is COc1ccc(CC(=O)N(C)C(C)C(=O)O)cc1C.
What is the InChIKey of 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid?
The InChIKey is VTLNVMLKONPMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-7-11(5-6-12(9)19-4)8-13(16)15(3)10(2)14(17)18/h5-7,10H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid?
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 110834445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).