(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid

C10H11BrN2O5 — CID 80750807

IUPAC(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cn1cc(Br)ccc1=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H11BrN2O5/c11-6-1-2-9(16)13(3-6)4-8(15)12-7(5-14)10(17)18/h1-3,7,14H,4-5H2,(H,12,15)(H,17,18)/t7-/m1/s1
InChIKeyMORCNGLTEOSQFT-SSDOTTSWSA-N
MW319.11 g/mol
LogP-0.83
Rot. Bonds5

About (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80750807) has the molecular formula C10H11BrN2O5 and a molecular weight of 319.11 g/mol. Its IUPAC name is (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80750807
Molecular FormulaC10H11BrN2O5
Molecular Weight319.11 g/mol
Exact Mass317.99
IUPAC Name(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cn1cc(Br)ccc1=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H11BrN2O5/c11-6-1-2-9(16)13(3-6)4-8(15)12-7(5-14)10(17)18/h1-3,7,14H,4-5H2,(H,12,15)(H,17,18)/t7-/m1/s1
InChIKeyMORCNGLTEOSQFT-SSDOTTSWSA-N
XLogP-0.83
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61144242
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764818
(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006601
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461
2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide
CID 79194945
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 26217251
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 17464666
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111425720
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64558178
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,4-dimethylphenyl)acetamide
CID 18085754

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid (CID 80750807) is (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid is O=C(Cn1cc(Br)ccc1=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is MORCNGLTEOSQFT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11BrN2O5/c11-6-1-2-9(16)13(3-6)4-8(15)12-7(5-14)10(17)18/h1-3,7,14H,4-5H2,(H,12,15)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 319.11 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).