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

C11H13BrN2O3 — CID 107562920

IUPAC(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-2-3-9(11(16)17)14-10(15)8-5-4-7(12)6-13-8/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyUHGXMNXDWBYZSV-SECBINFHSA-N
MW301.14 g/mol
LogP1.83
Rot. Bonds5

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

(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 107562920) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
PubChem CID107562920
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-2-3-9(11(16)17)14-10(15)8-5-4-7(12)6-13-8/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyUHGXMNXDWBYZSV-SECBINFHSA-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

Analyze (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
2-[(5-bromopyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 62960210
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid
CID 166373485
2-[(5-bromo-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 113454090
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 62959389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid (CID 107562920) is (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is UHGXMNXDWBYZSV-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-2-3-9(11(16)17)14-10(15)8-5-4-7(12)6-13-8/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid?
(2R)-2-[(5-bromopyridine-2-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 (2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107562920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).