3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid

C12H19N3O2 — CID 114080328

IUPAC3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid
SMILESCc1nccnc1C(C)NC(C(=O)O)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10(12(16)17)15-9(4)11-8(3)13-5-6-14-11/h5-7,9-10,15H,1-4H3,(H,16,17)
InChIKeyINNJTVQYHGOWFI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds5

About 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid

3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid (PubChem CID 114080328) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid
PubChem CID114080328
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid
SMILESCc1nccnc1C(C)NC(C(=O)O)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10(12(16)17)15-9(4)11-8(3)13-5-6-14-11/h5-7,9-10,15H,1-4H3,(H,16,17)
InChIKeyINNJTVQYHGOWFI-UHFFFAOYSA-N
XLogP1.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258930
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612365
N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine
CID 102612956
N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102612936
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 102612776
(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 102613113
(1R)-N-[1-(3-methylpyrazin-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 102613225
1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612282
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612905
[1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 102612886
5-[1-(3-methylpyrazin-2-yl)ethylamino]pentan-1-ol
CID 107303156

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid?
The IUPAC name of 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid (CID 114080328) is 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid?
The canonical SMILES for 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid is Cc1nccnc1C(C)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid?
The InChIKey is INNJTVQYHGOWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)10(12(16)17)15-9(4)11-8(3)13-5-6-14-11/h5-7,9-10,15H,1-4H3,(H,16,17).
What are the key properties of 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid?
3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid is sourced from PubChem (CID 114080328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).