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

C15H20BrNO3 — CID 60834612

IUPAC2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(CCOc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C15H20BrNO3/c16-12-4-3-7-14(10-12)20-9-8-17(11-15(18)19)13-5-1-2-6-13/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,18,19)
InChIKeyWLMAZERMMOOQSN-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.16
Rot. Bonds7

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

2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid (PubChem CID 60834612) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
PubChem CID60834612
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(CCOc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C15H20BrNO3/c16-12-4-3-7-14(10-12)20-9-8-17(11-15(18)19)13-5-1-2-6-13/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,18,19)
InChIKeyWLMAZERMMOOQSN-UHFFFAOYSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
2-[2-(3-bromophenoxy)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425881
N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
CID 78943956
4-(3-bromophenoxy)-2-cyclopentylbutanoic acid
CID 112569165
2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid
CID 54945677
3-[2-[cyclobutyl(3-hydroxypropyl)amino]ethoxy]benzoic acid
CID 102863854
N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63458323
2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid
CID 60835313
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
3-[2-[cyclohexyl(methyl)amino]ethoxy]benzoic acid
CID 22680674
2-[2-(3-bromophenoxy)ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 60697432
3-[3-[cyclopentyl(ethyl)amino]propoxy]benzoic acid
CID 63066891

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid (CID 60834612) is 2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid is O=C(O)CN(CCOc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid?
The InChIKey is WLMAZERMMOOQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-4-3-7-14(10-12)20-9-8-17(11-15(18)19)13-5-1-2-6-13/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,18,19).
What are the key properties of 2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid?
2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid has a molecular weight of 342.23 g/mol, XLogP of 3.16, 7 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-cyclopentylamino]acetic acid is sourced from PubChem (CID 60834612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).