1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C14H16BrNO4 — CID 120515100

IUPAC1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1ccccc1Br)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H16BrNO4/c15-10-5-1-2-6-11(10)20-9-12(17)16-14(13(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,17)(H,18,19)
InChIKeyXMBFVXHWWYXOFK-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.34
Rot. Bonds5

About 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120515100) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120515100
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1ccccc1Br)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H16BrNO4/c15-10-5-1-2-6-11(10)20-9-12(17)16-14(13(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,17)(H,18,19)
InChIKeyXMBFVXHWWYXOFK-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

1-[[2-(2,4-dibromophenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158229
1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351152
1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452796
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid
CID 84712843
1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43350973
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
CID 19176585
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120515100) is 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(COc1ccccc1Br)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XMBFVXHWWYXOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c15-10-5-1-2-6-11(10)20-9-12(17)16-14(13(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120515100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).