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

C13H21N3O3 — CID 65226992

IUPAC3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
SMILESCC(C)Oc1cncc(NCC(C(=O)O)C(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-8(2)10(13(17)18)5-15-11-6-14-7-12(16-11)19-9(3)4/h6-10H,5H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYNZKHEJUARXGHX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.03
Rot. Bonds7

About 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid

3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid (PubChem CID 65226992) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
PubChem CID65226992
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
SMILESCC(C)Oc1cncc(NCC(C(=O)O)C(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-8(2)10(13(17)18)5-15-11-6-14-7-12(16-11)19-9(3)4/h6-10H,5H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYNZKHEJUARXGHX-UHFFFAOYSA-N
XLogP2.03
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid (CID 65226992) is 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid is CC(C)Oc1cncc(NCC(C(=O)O)C(C)C)n1.
What is the InChIKey of 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid?
The InChIKey is YNZKHEJUARXGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)10(13(17)18)5-15-11-6-14-7-12(16-11)19-9(3)4/h6-10H,5H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid?
3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65226992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).