methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate

C13H17NO4 — CID 43409761

IUPACmethyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1ccccc1O
InChIInChI=1S/C13H17NO4/c1-14(9-13(17)18-2)12(16)8-7-10-5-3-4-6-11(10)15/h3-6,15H,7-9H2,1-2H3
InChIKeyZAPSJBJVXVSQJT-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.96
Rot. Bonds5

About methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate

methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate (PubChem CID 43409761) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
PubChem CID43409761
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1ccccc1O
InChIInChI=1S/C13H17NO4/c1-14(9-13(17)18-2)12(16)8-7-10-5-3-4-6-11(10)15/h3-6,15H,7-9H2,1-2H3
InChIKeyZAPSJBJVXVSQJT-UHFFFAOYSA-N
XLogP0.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 27807515
methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 112729455
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
CID 155943272
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate
CID 43409176
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 78790869
methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate
CID 60713044
methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate
CID 107272868
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510727
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate
CID 43423411

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate?
The IUPAC name of methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate (CID 43409761) is methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate?
The canonical SMILES for methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate is COC(=O)CN(C)C(=O)CCc1ccccc1O.
What is the InChIKey of methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate?
The InChIKey is ZAPSJBJVXVSQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(9-13(17)18-2)12(16)8-7-10-5-3-4-6-11(10)15/h3-6,15H,7-9H2,1-2H3.
What are the key properties of methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate?
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate has a molecular weight of 251.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate is sourced from PubChem (CID 43409761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).