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

C9H9BrN2O3 — CID 28979301

IUPAC(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cncc(Br)c1)C(=O)O
InChIInChI=1S/C9H9BrN2O3/c1-5(9(14)15)12-8(13)6-2-7(10)4-11-3-6/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m1/s1
InChIKeyFRUUVCBSGFCSNB-RXMQYKEDSA-N
MW273.09 g/mol
LogP1.05
Rot. Bonds3

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

(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 28979301) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
PubChem CID28979301
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cncc(Br)c1)C(=O)O
InChIInChI=1S/C9H9BrN2O3/c1-5(9(14)15)12-8(13)6-2-7(10)4-11-3-6/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m1/s1
InChIKeyFRUUVCBSGFCSNB-RXMQYKEDSA-N
XLogP1.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353006
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid (CID 28979301) is (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1cncc(Br)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is FRUUVCBSGFCSNB-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-5(9(14)15)12-8(13)6-2-7(10)4-11-3-6/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid?
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 273.09 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28979301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).