2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid

C11H13BrN2O3 — CID 43630361

IUPAC2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cncc(Br)c1)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-2-3-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyKNYGHUQVKGTUFD-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.83
Rot. Bonds5

About 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid

2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 43630361) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
PubChem CID43630361
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cncc(Br)c1)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-2-3-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyKNYGHUQVKGTUFD-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromopyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 3136476
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
N-(1-aminopentan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191484
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353006
(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
CID 122063013
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 43630226
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid (CID 43630361) is 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1cncc(Br)c1)C(=O)O.
What is the InChIKey of 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is KNYGHUQVKGTUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-2-3-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid?
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 301.14 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).