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

C13H17NO4 — CID 103879292

IUPACmethyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1cccc(C)c1
InChIInChI=1S/C13H17NO4/c1-9-4-3-5-10(6-9)7-12(16)14-8-11(15)13(17)18-2/h3-6,11,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyLNEDODODKOQPEG-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.19
Rot. Bonds5

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

methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate (PubChem CID 103879292) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
PubChem CID103879292
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1cccc(C)c1
InChIInChI=1S/C13H17NO4/c1-9-4-3-5-10(6-9)7-12(16)14-8-11(15)13(17)18-2/h3-6,11,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyLNEDODODKOQPEG-UHFFFAOYSA-N
XLogP0.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
CID 64540830
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
(2S)-2-hydroxy-4-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 107834540
(2S)-2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 114006419
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 66165783
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(3-methylphenyl)acetamide
CID 90581416

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate (CID 103879292) is methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate is COC(=O)C(O)CNC(=O)Cc1cccc(C)c1.
What is the InChIKey of methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate?
The InChIKey is LNEDODODKOQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-4-3-5-10(6-9)7-12(16)14-8-11(15)13(17)18-2/h3-6,11,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate?
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate has a molecular weight of 251.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 103879292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).