(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid

C10H11BrN2O3 — CID 103804471

IUPAC(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid
SMILESCC[C@@H](NC(=O)c1ccnc(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrN2O3/c1-2-7(10(15)16)13-9(14)6-3-4-12-8(11)5-6/h3-5,7H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyBIYCAPRZBYBPHI-SSDOTTSWSA-N
MW287.11 g/mol
LogP1.44
Rot. Bonds4

About (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid

(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid (PubChem CID 103804471) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid
PubChem CID103804471
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid
SMILESCC[C@@H](NC(=O)c1ccnc(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrN2O3/c1-2-7(10(15)16)13-9(14)6-3-4-12-8(11)5-6/h3-5,7H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyBIYCAPRZBYBPHI-SSDOTTSWSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-bromopyridine-4-carbonyl)amino]butanedioic acid
CID 114037388
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
(2R)-2-[(3,4-dihydroxybenzoyl)amino]butanoic acid
CID 107728136
(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
(2S)-2-[(3,4-difluorobenzoyl)amino]butanoic acid
CID 42255214
2-bromo-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 103772020
2-(isoquinoline-6-carbonylamino)butanoic acid
CID 110485108
2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 103754299

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid (CID 103804471) is (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid is CC[C@@H](NC(=O)c1ccnc(Br)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is BIYCAPRZBYBPHI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-2-7(10(15)16)13-9(14)6-3-4-12-8(11)5-6/h3-5,7H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid?
(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 287.11 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103804471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).