2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid

C10H13N3O3 — CID 61263724

IUPAC2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
SMILESCc1cnc(C(=O)NC(C)(C)C(=O)O)cn1
InChIInChI=1S/C10H13N3O3/c1-6-4-12-7(5-11-6)8(14)13-10(2,3)9(15)16/h4-5H,1-3H3,(H,13,14)(H,15,16)
InChIKeyMOZRSJGGNCCREX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.38
Rot. Bonds3

About 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid

2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid (PubChem CID 61263724) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
PubChem CID61263724
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
SMILESCc1cnc(C(=O)NC(C)(C)C(=O)O)cn1
InChIInChI=1S/C10H13N3O3/c1-6-4-12-7(5-11-6)8(14)13-10(2,3)9(15)16/h4-5H,1-3H3,(H,13,14)(H,15,16)
InChIKeyMOZRSJGGNCCREX-UHFFFAOYSA-N
XLogP0.38
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

acetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521434
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
CID 103772304
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
CID 103900021
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62829026
3-methyl-1-(5-methylpyrazin-2-yl)but-3-en-1-one
CID 105112464
(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid (CID 61263724) is 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid is Cc1cnc(C(=O)NC(C)(C)C(=O)O)cn1.
What is the InChIKey of 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The InChIKey is MOZRSJGGNCCREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-4-12-7(5-11-6)8(14)13-10(2,3)9(15)16/h4-5H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61263724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).