(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C9H9BrN2O4 — CID 103790965

IUPAC(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)O
InChIInChI=1S/C9H9BrN2O4/c1-4(9(15)16)12-7(13)5-2-6(10)8(14)11-3-5/h2-4H,1H3,(H,11,14)(H,12,13)(H,15,16)/t4-/m0/s1
InChIKeyDYCMQNVHGGBGJO-BYPYZUCNSA-N
MW289.09 g/mol
LogP0.34
Rot. Bonds3

About (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 103790965) has the molecular formula C9H9BrN2O4 and a molecular weight of 289.09 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID103790965
Molecular FormulaC9H9BrN2O4
Molecular Weight289.09 g/mol
Exact Mass287.97
IUPAC Name(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)O
InChIInChI=1S/C9H9BrN2O4/c1-4(9(15)16)12-7(13)5-2-6(10)8(14)11-3-5/h2-4H,1H3,(H,11,14)(H,12,13)(H,15,16)/t4-/m0/s1
InChIKeyDYCMQNVHGGBGJO-BYPYZUCNSA-N
XLogP0.34
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120702140
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 119187408
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid
CID 119208771
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
1-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176410
(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid
CID 83617800
5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119508914
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
(2R)-2-[(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 119244146
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 47059465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 103790965) is (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is DYCMQNVHGGBGJO-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H9BrN2O4/c1-4(9(15)16)12-7(13)5-2-6(10)8(14)11-3-5/h2-4H,1H3,(H,11,14)(H,12,13)(H,15,16)/t4-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 289.09 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103790965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).