3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid

C12H17N3O3 — CID 54926288

IUPAC3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)c1cnccn1
InChIInChI=1S/C12H17N3O3/c1-12(2,3)15(7-4-10(16)17)11(18)9-8-13-5-6-14-9/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyJGRRJSUQWGDFJR-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.19
Rot. Bonds4

About 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid

3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid (PubChem CID 54926288) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid
PubChem CID54926288
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)c1cnccn1
InChIInChI=1S/C12H17N3O3/c1-12(2,3)15(7-4-10(16)17)11(18)9-8-13-5-6-14-9/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyJGRRJSUQWGDFJR-UHFFFAOYSA-N
XLogP1.19
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid
CID 62788263
N-tert-butylpyrazine-2-carbohydrazide
CID 23165237
3-[(5-bromopyridine-3-carbonyl)-tert-butylamino]propanoic acid
CID 60826040
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
3-[ethyl(pyrazin-2-yl)amino]propanoic acid
CID 61010461
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
CID 54925819
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 47112752
N-cyclopropyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3402919
N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide
CID 76937052
N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
N-hydroxy-N-methoxypyrazine-2-carboxamide
CID 54209854

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid (CID 54926288) is 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)c1cnccn1.
What is the InChIKey of 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid?
The InChIKey is JGRRJSUQWGDFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,3)15(7-4-10(16)17)11(18)9-8-13-5-6-14-9/h5-6,8H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid?
3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54926288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).