2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H15BrN2O3 — CID 115297377

IUPAC2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1ccc(Br)c(C(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C13H15BrN2O3/c14-10-5-4-7(15)6-9(10)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3,15H2,(H,16,17)(H,18,19)
InChIKeyJGXVFNTYJPNJOJ-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.01
Rot. Bonds3

About 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 115297377) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID115297377
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1ccc(Br)c(C(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C13H15BrN2O3/c14-10-5-4-7(15)6-9(10)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3,15H2,(H,16,17)(H,18,19)
InChIKeyJGXVFNTYJPNJOJ-UHFFFAOYSA-N
XLogP2.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 115297377) is 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid is Nc1ccc(Br)c(C(=O)NC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is JGXVFNTYJPNJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-10-5-4-7(15)6-9(10)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 327.18 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115297377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).