(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid

C10H11BrN2O4 — CID 94903176

IUPAC(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O4/c11-6-1-2-7(12-5-6)9(15)13-8(3-4-14)10(16)17/h1-2,5,8,14H,3-4H2,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeySDJAUYGJXKPJIO-QMMMGPOBSA-N
MW303.11 g/mol
LogP0.41
Rot. Bonds5

About (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid

(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 94903176) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID94903176
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O4/c11-6-1-2-7(12-5-6)9(15)13-8(3-4-14)10(16)17/h1-2,5,8,14H,3-4H2,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeySDJAUYGJXKPJIO-QMMMGPOBSA-N
XLogP0.41
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
2-[(5-bromopyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 62960210
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid
CID 166373485
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 62959389
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid (CID 94903176) is (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid is O=C(N[C@@H](CCO)C(=O)O)c1ccc(Br)cn1.
What is the InChIKey of (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is SDJAUYGJXKPJIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c11-6-1-2-7(12-5-6)9(15)13-8(3-4-14)10(16)17/h1-2,5,8,14H,3-4H2,(H,13,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid?
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 303.11 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 94903176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).