2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid

C10H13BrN2O3 — CID 43630226

IUPAC2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(Br)c[nH]1)C(=O)O
InChIInChI=1S/C10H13BrN2O3/c1-2-3-7(10(15)16)13-9(14)8-4-6(11)5-12-8/h4-5,7,12H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyOSIXUNHWNZSHTJ-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.76
Rot. Bonds5

About 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid

2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid (PubChem CID 43630226) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
PubChem CID43630226
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(Br)c[nH]1)C(=O)O
InChIInChI=1S/C10H13BrN2O3/c1-2-3-7(10(15)16)13-9(14)8-4-6(11)5-12-8/h4-5,7,12H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyOSIXUNHWNZSHTJ-UHFFFAOYSA-N
XLogP1.76
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid (CID 43630226) is 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1cc(Br)c[nH]1)C(=O)O.
What is the InChIKey of 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The InChIKey is OSIXUNHWNZSHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-2-3-7(10(15)16)13-9(14)8-4-6(11)5-12-8/h4-5,7,12H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid has a molecular weight of 289.13 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).