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

2-(3-Methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 114080386
2-(Methylamino)-2-pyrazin-2-ylpropanoic acid
CID 64189888
(2S)-2-amino-3-methylbutanoic acid;2-ethyl-5-methylpyrazine
CID 117977010
3-Methyl-2-(pyrazin-2-ylmethylamino)butanoic acid
CID 62762566
4-Methyl-2-(pyrazin-2-ylmethylamino)pentanoic acid
CID 62762567
2-(Butan-2-ylamino)-2-pyrazin-2-ylpropanoic acid
CID 64188847
2-(1-Pyrazin-2-ylethylamino)propanoic acid
CID 64189459
methyl (2S)-3-methyl-2-(1-pyrazin-2-ylethylamino)butanoate
CID 64189852
2-(Ethylamino)-2-pyrazin-2-ylpropanoic acid
CID 64189889
2-(Propylamino)-2-pyrazin-2-ylpropanoic acid
CID 64189890
2-(Propan-2-ylamino)-2-pyrazin-2-ylpropanoic acid
CID 64189891
2-(2-Methylpropylamino)-2-pyrazin-2-ylpropanoic acid
CID 64190514

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).