3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid

C9H9BrN2O3 — CID 743143

IUPAC3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C9H9BrN2O3/c10-7-3-6(4-11-5-7)9(15)12-2-1-8(13)14/h3-5H,1-2H2,(H,12,15)(H,13,14)
InChIKeyUXDDCRYZCDOAEL-UHFFFAOYSA-N
MW273.09 g/mol
LogP1.05
Rot. Bonds4

About 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid

3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 743143) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
PubChem CID743143
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C9H9BrN2O3/c10-7-3-6(4-11-5-7)9(15)12-2-1-8(13)14/h3-5H,1-2H2,(H,12,15)(H,13,14)
InChIKeyUXDDCRYZCDOAEL-UHFFFAOYSA-N
XLogP1.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid (CID 743143) is 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is UXDDCRYZCDOAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c10-7-3-6(4-11-5-7)9(15)12-2-1-8(13)14/h3-5H,1-2H2,(H,12,15)(H,13,14).
What are the key properties of 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid?
3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 273.09 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 743143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).