methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate

C13H17NO4 — CID 60712354

IUPACmethyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCc1ccccc1O
InChIInChI=1S/C13H17NO4/c1-9(13(17)18-2)14-12(16)8-7-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyGBWLJFDOCBGGKA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.00
Rot. Bonds5

About methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate

methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate (PubChem CID 60712354) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
PubChem CID60712354
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCc1ccccc1O
InChIInChI=1S/C13H17NO4/c1-9(13(17)18-2)14-12(16)8-7-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyGBWLJFDOCBGGKA-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
(2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137608
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
3-(2-hydroxyphenyl)-N-(2-methoxyethoxy)propanamide
CID 79675926
N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
CID 94817990
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
(2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide
CID 90735772
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-(2-methylphenyl)propanamide
CID 76941661
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 51292726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate?
The IUPAC name of methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate (CID 60712354) is methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate.
What is the SMILES notation for methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate?
The canonical SMILES for methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate is COC(=O)C(C)NC(=O)CCc1ccccc1O.
What is the InChIKey of methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate?
The InChIKey is GBWLJFDOCBGGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(13(17)18-2)14-12(16)8-7-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate?
methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate is sourced from PubChem (CID 60712354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).