3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid

C15H13BrN2O3 — CID 107517083

IUPAC3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ncccc1Br
InChIInChI=1S/C15H13BrN2O3/c16-12-7-4-8-17-13(12)14(19)18-9-11(15(20)21)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,18,19)(H,20,21)
InChIKeyXVFBSNQDBZZOBI-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.44
Rot. Bonds5

About 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid

3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 107517083) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID107517083
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ncccc1Br
InChIInChI=1S/C15H13BrN2O3/c16-12-7-4-8-17-13(12)14(19)18-9-11(15(20)21)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,18,19)(H,20,21)
InChIKeyXVFBSNQDBZZOBI-UHFFFAOYSA-N
XLogP2.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 107526242
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
CID 55128680
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921485
3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114078844
(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 107833697
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid (CID 107517083) is 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1ncccc1Br.
What is the InChIKey of 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is XVFBSNQDBZZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-12-7-4-8-17-13(12)14(19)18-9-11(15(20)21)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid?
3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 349.18 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 107517083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).