2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid

C14H16BrNO4 — CID 79848711

IUPAC2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)COc2cccc(Br)c2)CCC1
InChIInChI=1S/C14H16BrNO4/c15-10-3-1-4-11(7-10)20-9-12(17)16-14(5-2-6-14)8-13(18)19/h1,3-4,7H,2,5-6,8-9H2,(H,16,17)(H,18,19)
InChIKeyMNEKRXKJPMYGPF-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.34
Rot. Bonds6

About 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79848711) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79848711
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)COc2cccc(Br)c2)CCC1
InChIInChI=1S/C14H16BrNO4/c15-10-3-1-4-11(7-10)20-9-12(17)16-14(5-2-6-14)8-13(18)19/h1,3-4,7H,2,5-6,8-9H2,(H,16,17)(H,18,19)
InChIKeyMNEKRXKJPMYGPF-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844002
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78903343
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956
2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713
2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844652
2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844426
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217220
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid (CID 79848711) is 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)COc2cccc(Br)c2)CCC1.
What is the InChIKey of 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is MNEKRXKJPMYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c15-10-3-1-4-11(7-10)20-9-12(17)16-14(5-2-6-14)8-13(18)19/h1,3-4,7H,2,5-6,8-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 342.19 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).