methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate

C10H12BrNO3 — CID 63045145

IUPACmethyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc(O)c(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-15-10(14)6-12-5-7-2-3-9(13)8(11)4-7/h2-4,12-13H,5-6H2,1H3
InChIKeyLNYKTUJHOXEUAB-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.42
Rot. Bonds4

About methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate

methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate (PubChem CID 63045145) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
PubChem CID63045145
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namemethyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc(O)c(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-15-10(14)6-12-5-7-2-3-9(13)8(11)4-7/h2-4,12-13H,5-6H2,1H3
InChIKeyLNYKTUJHOXEUAB-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
CID 60657940
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 103778467
2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 55146378
2-bromo-4-[(2-ethoxyethylamino)methyl]phenol
CID 60956459
2-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 114118923
methyl (2S)-2-[(3-bromo-4-hydroxyphenyl)methylamino]-3-methylbutanoate
CID 55145808
methyl 4-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63044845
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]butanoate
CID 114283726
methyl 2-[(3-bromo-5-methylphenyl)methylamino]acetate
CID 176676852
methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate
CID 43646902
methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
CID 115232859

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate (CID 63045145) is methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate is COC(=O)CNCc1ccc(O)c(Br)c1.
What is the InChIKey of methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate?
The InChIKey is LNYKTUJHOXEUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-15-10(14)6-12-5-7-2-3-9(13)8(11)4-7/h2-4,12-13H,5-6H2,1H3.
What are the key properties of methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate?
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate has a molecular weight of 274.11 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate is sourced from PubChem (CID 63045145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).