3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H13Br3N2O3 — CID 66031213

IUPAC3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H13Br3N2O3/c14-7-4-9(15)11(10(16)5-7)18-13(21)17-8-2-1-6(3-8)12(19)20/h4-6,8H,1-3H2,(H,19,20)(H2,17,18,21)
InChIKeyRNPMNBCRGNXWKK-UHFFFAOYSA-N
MW484.97 g/mol
LogP4.35
Rot. Bonds3

About 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031213) has the molecular formula C13H13Br3N2O3 and a molecular weight of 484.97 g/mol. Its IUPAC name is 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66031213
Molecular FormulaC13H13Br3N2O3
Molecular Weight484.97 g/mol
Exact Mass481.85
IUPAC Name3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H13Br3N2O3/c14-7-4-9(15)11(10(16)5-7)18-13(21)17-8-2-1-6(3-8)12(19)20/h4-6,8H,1-3H2,(H,19,20)(H2,17,18,21)
InChIKeyRNPMNBCRGNXWKK-UHFFFAOYSA-N
XLogP4.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid
CID 55177304
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
3-[(2,4,6-tribromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788349
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81281055
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320556
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107593237
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 66031213) is 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1c(Br)cc(Br)cc1Br)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RNPMNBCRGNXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br3N2O3/c14-7-4-9(15)11(10(16)5-7)18-13(21)17-8-2-1-6(3-8)12(19)20/h4-6,8H,1-3H2,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 484.97 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).