2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid

C12H19N3O3 — CID 80539579

IUPAC2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
SMILESCC(C)Oc1cncc(NCCC(C)C(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)18-11-7-13-6-10(15-11)14-5-4-9(3)12(16)17/h6-9H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeySJLOXOHCLDJPME-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.79
Rot. Bonds7

About 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid

2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid (PubChem CID 80539579) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
PubChem CID80539579
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
SMILESCC(C)Oc1cncc(NCCC(C)C(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)18-11-7-13-6-10(15-11)14-5-4-9(3)12(16)17/h6-9H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeySJLOXOHCLDJPME-UHFFFAOYSA-N
XLogP1.79
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
CID 65226992
4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine
CID 106244415
3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
CID 133484788
ethane;2-methyl-N-(6-propan-2-yloxypyrazin-2-yl)propanamide
CID 145083687
6-pentan-2-yloxy-N-propylpyrazin-2-amine
CID 102989461
2-ethyl-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,2-diamine
CID 115306323
(1S)-2-[(6-propan-2-yloxypyrazin-2-yl)amino]-1-pyridin-4-ylethanol
CID 99621227
6-propan-2-yloxypyrazine-2-carboxylic acid
CID 65440453
2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701576
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
CID 106117265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid (CID 80539579) is 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid is CC(C)Oc1cncc(NCCC(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid?
The InChIKey is SJLOXOHCLDJPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)18-11-7-13-6-10(15-11)14-5-4-9(3)12(16)17/h6-9H,4-5H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid?
2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 80539579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).