(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid

C11H13BrN2O5 — CID 114006601

IUPAC(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H13BrN2O5/c12-7-1-2-10(17)14(5-7)6-9(16)13-4-3-8(15)11(18)19/h1-2,5,8,15H,3-4,6H2,(H,13,16)(H,18,19)/t8-/m0/s1
InChIKeyFDSYZERKUNAKDS-QMMMGPOBSA-N
MW333.14 g/mol
LogP-0.44
Rot. Bonds6

About (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid (PubChem CID 114006601) has the molecular formula C11H13BrN2O5 and a molecular weight of 333.14 g/mol. Its IUPAC name is (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
PubChem CID114006601
Molecular FormulaC11H13BrN2O5
Molecular Weight333.14 g/mol
Exact Mass332.00
IUPAC Name(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H13BrN2O5/c12-7-1-2-10(17)14(5-7)6-9(16)13-4-3-8(15)11(18)19/h1-2,5,8,15H,3-4,6H2,(H,13,16)(H,18,19)/t8-/m0/s1
InChIKeyFDSYZERKUNAKDS-QMMMGPOBSA-N
XLogP-0.44
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid with MolForge

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
CID 78815021
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenoxyethyl)acetamide
CID 51209692
(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750807
3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951719
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 37343566
(2S)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61144242
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111425720
methyl 7-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]heptanoate
CID 86979311
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64547769

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid (CID 114006601) is (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid is O=C(Cn1cc(Br)ccc1=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid?
The InChIKey is FDSYZERKUNAKDS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrN2O5/c12-7-1-2-10(17)14(5-7)6-9(16)13-4-3-8(15)11(18)19/h1-2,5,8,15H,3-4,6H2,(H,13,16)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid has a molecular weight of 333.14 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114006601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).