2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid

C11H14BrNO3 — CID 43442338

IUPAC2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
SMILESCN(CCOc1cccc(Br)c1)CC(=O)O
InChIInChI=1S/C11H14BrNO3/c1-13(8-11(14)15)5-6-16-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,15)
InChIKeyIWRBELMYEKYJSG-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.84
Rot. Bonds6

About 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid

2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid (PubChem CID 43442338) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
PubChem CID43442338
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
SMILESCN(CCOc1cccc(Br)c1)CC(=O)O
InChIInChI=1S/C11H14BrNO3/c1-13(8-11(14)15)5-6-16-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,15)
InChIKeyIWRBELMYEKYJSG-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenoxy)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425881
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
2-[2-(3-bromophenoxy)ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 60697432
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
2-[3-(3-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60832392
2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
CID 60834612
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
3-[2-(3-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 54971448
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid (CID 43442338) is 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid is CN(CCOc1cccc(Br)c1)CC(=O)O.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid?
The InChIKey is IWRBELMYEKYJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-13(8-11(14)15)5-6-16-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid?
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid has a molecular weight of 288.14 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid is sourced from PubChem (CID 43442338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).