methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate

C12H15NO5 — CID 110465943

IUPACmethyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H15NO5/c1-13(7-11(15)18-3)12(16)8-4-5-9(14)10(6-8)17-2/h4-6,14H,7H2,1-3H3
InChIKeyXBIXZBSIIOIETL-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.65
Rot. Bonds4

About methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate

methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate (PubChem CID 110465943) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
PubChem CID110465943
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namemethyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H15NO5/c1-13(7-11(15)18-3)12(16)8-4-5-9(14)10(6-8)17-2/h4-6,14H,7H2,1-3H3
InChIKeyXBIXZBSIIOIETL-UHFFFAOYSA-N
XLogP0.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
CID 110465928
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-hydroxy-N-(4-hydroxyphenyl)-3-methoxy-N-methylbenzamide
CID 176768162
methyl 2-[(3-chloro-4-methylbenzoyl)-methylamino]acetate
CID 63194919
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate
CID 52842366

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate (CID 110465943) is methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(O)c(OC)c1.
What is the InChIKey of methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate?
The InChIKey is XBIXZBSIIOIETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-13(7-11(15)18-3)12(16)8-4-5-9(14)10(6-8)17-2/h4-6,14H,7H2,1-3H3.
What are the key properties of methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate?
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate has a molecular weight of 253.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate is sourced from PubChem (CID 110465943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).