2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid

C8H11N3O2 — CID 130039613

IUPAC2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid
SMILESCC(N)(Cc1cnccn1)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-8(9,7(12)13)4-6-5-10-2-3-11-6/h2-3,5H,4,9H2,1H3,(H,12,13)
InChIKeyYGKKTUVJHAZUEJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.18
Rot. Bonds3

About 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid

2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid (PubChem CID 130039613) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid
PubChem CID130039613
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid
SMILESCC(N)(Cc1cnccn1)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-8(9,7(12)13)4-6-5-10-2-3-11-6/h2-3,5H,4,9H2,1H3,(H,12,13)
InChIKeyYGKKTUVJHAZUEJ-UHFFFAOYSA-N
XLogP-0.18
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-pyrazin-2-ylpropan-2-amine
CID 82594901
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid
CID 70578456
2-amino-3-(5-borono-2-pyridinyl)-2-methylpropanoic acid
CID 174236446
2-pyrazin-2-ylacetic acid
CID 19797048
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-bromo-2-methyl-3-pyrazin-2-ylpropanenitrile
CID 57161926
pyrazin-2-ylmethyl N-tert-butylcarbamate
CID 174542549
1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
2-oxo-N-(pyrazin-2-ylmethyl)acetamide
CID 90048439
2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid
CID 130039671

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid?
The IUPAC name of 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid (CID 130039613) is 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid is CC(N)(Cc1cnccn1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid?
The InChIKey is YGKKTUVJHAZUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-8(9,7(12)13)4-6-5-10-2-3-11-6/h2-3,5H,4,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid?
2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid has a molecular weight of 181.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid is sourced from PubChem (CID 130039613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).