2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid

C10H13N3O4 — CID 107831683

IUPAC2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
SMILESCc1cnc(C(=O)NCCC(O)C(=O)O)cn1
InChIInChI=1S/C10H13N3O4/c1-6-4-13-7(5-12-6)9(15)11-3-2-8(14)10(16)17/h4-5,8,14H,2-3H2,1H3,(H,11,15)(H,16,17)
InChIKeyAAVMMBJYAPNNLT-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.65
Rot. Bonds5

About 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid

2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid (PubChem CID 107831683) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
PubChem CID107831683
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
SMILESCc1cnc(C(=O)NCCC(O)C(=O)O)cn1
InChIInChI=1S/C10H13N3O4/c1-6-4-13-7(5-12-6)9(15)11-3-2-8(14)10(16)17/h4-5,8,14H,2-3H2,1H3,(H,11,15)(H,16,17)
InChIKeyAAVMMBJYAPNNLT-UHFFFAOYSA-N
XLogP-0.65
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107832176
(2S)-2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107834372
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816
N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
CID 43596390

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid (CID 107831683) is 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid is Cc1cnc(C(=O)NCCC(O)C(=O)O)cn1.
What is the InChIKey of 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid?
The InChIKey is AAVMMBJYAPNNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-4-13-7(5-12-6)9(15)11-3-2-8(14)10(16)17/h4-5,8,14H,2-3H2,1H3,(H,11,15)(H,16,17).
What are the key properties of 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107831683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).