methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate

C14H19NO5 — CID 103879287

IUPACmethyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1ccc(C)c(OC)c1
InChIInChI=1S/C14H19NO5/c1-9-4-5-10(6-12(9)19-2)7-13(17)15-8-11(16)14(18)20-3/h4-6,11,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyBJFOSCRNHZBPMO-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.20
Rot. Bonds6

About methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate

methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate (PubChem CID 103879287) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
PubChem CID103879287
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1ccc(C)c(OC)c1
InChIInChI=1S/C14H19NO5/c1-9-4-5-10(6-12(9)19-2)7-13(17)15-8-11(16)14(18)20-3/h4-6,11,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyBJFOSCRNHZBPMO-UHFFFAOYSA-N
XLogP0.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 99815527
3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 103153347
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
dimethyl 2-[(3-methoxy-4-methylphenyl)methyl]propanedioate
CID 18626507
3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813750
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate (CID 103879287) is methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate is COC(=O)C(O)CNC(=O)Cc1ccc(C)c(OC)c1.
What is the InChIKey of methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate?
The InChIKey is BJFOSCRNHZBPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9-4-5-10(6-12(9)19-2)7-13(17)15-8-11(16)14(18)20-3/h4-6,11,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate?
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate has a molecular weight of 281.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 103879287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).