methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate

C14H19NO4 — CID 103957745

IUPACmethyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H19NO4/c1-9-4-5-11(6-10(9)2)7-13(17)15-8-12(16)14(18)19-3/h4-6,12,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyHAQAJYXWFXMCIO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.50
Rot. Bonds5

About methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate

methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate (PubChem CID 103957745) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
PubChem CID103957745
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H19NO4/c1-9-4-5-11(6-10(9)2)7-13(17)15-8-12(16)14(18)19-3/h4-6,12,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyHAQAJYXWFXMCIO-UHFFFAOYSA-N
XLogP0.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
methyl (2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-methylbutanoate
CID 18157841
2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593635
N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
CID 106242904
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide
CID 107156584
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate (CID 103957745) is methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate?
The InChIKey is HAQAJYXWFXMCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-4-5-11(6-10(9)2)7-13(17)15-8-12(16)14(18)19-3/h4-6,12,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate?
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate has a molecular weight of 265.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 103957745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).