2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H19BrN2O3 — CID 64814721

IUPAC2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCn1cc(Br)cc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H19BrN2O3/c1-2-6-17-8-9(15)7-12(17)13(18)16-11-5-3-4-10(11)14(19)20/h7-8,10-11H,2-6H2,1H3,(H,16,18)(H,19,20)
InChIKeyUQTFEFRHTRXJEH-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.64
Rot. Bonds5

About 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64814721) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64814721
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCn1cc(Br)cc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H19BrN2O3/c1-2-6-17-8-9(15)7-12(17)13(18)16-11-5-3-4-10(11)14(19)20/h7-8,10-11H,2-6H2,1H3,(H,16,18)(H,19,20)
InChIKeyUQTFEFRHTRXJEH-UHFFFAOYSA-N
XLogP2.64
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
CID 63281523
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813510
4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 63525805
4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
CID 55222795
4-bromo-N-(1-cyclopropylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 60956002
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66223097
4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
CID 60955169
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64814721) is 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCn1cc(Br)cc1C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UQTFEFRHTRXJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-2-6-17-8-9(15)7-12(17)13(18)16-11-5-3-4-10(11)14(19)20/h7-8,10-11H,2-6H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 343.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).