1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid

C15H18BrNO4 — CID 43169472

IUPAC1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCOc1ccc(Br)cc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H18BrNO4/c16-11-3-5-12(6-4-11)21-10-7-13(18)17-15(14(19)20)8-1-2-9-15/h3-6H,1-2,7-10H2,(H,17,18)(H,19,20)
InChIKeyQGWTVCNMNAQXDB-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.73
Rot. Bonds6

About 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid

1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43169472) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID43169472
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCOc1ccc(Br)cc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H18BrNO4/c16-11-3-5-12(6-4-11)21-10-7-13(18)17-15(14(19)20)8-1-2-9-15/h3-6H,1-2,7-10H2,(H,17,18)(H,19,20)
InChIKeyQGWTVCNMNAQXDB-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877589
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
1-[4-(4-methylphenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164001
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164148
1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43350973
N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
CID 61120116
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 43169472) is 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCOc1ccc(Br)cc1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QGWTVCNMNAQXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c16-11-3-5-12(6-4-11)21-10-7-13(18)17-15(14(19)20)8-1-2-9-15/h3-6H,1-2,7-10H2,(H,17,18)(H,19,20).
What are the key properties of 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43169472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).