4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid

C10H15N3O3 — CID 83063532

IUPAC4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid
SMILESCOCCC(Nc1nccnc1C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-7-9(12-5-4-11-7)13-8(10(14)15)3-6-16-2/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXCNWVUILSPWCEH-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.69
Rot. Bonds6

About 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid

4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid (PubChem CID 83063532) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid
PubChem CID83063532
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid
SMILESCOCCC(Nc1nccnc1C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-7-9(12-5-4-11-7)13-8(10(14)15)3-6-16-2/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXCNWVUILSPWCEH-UHFFFAOYSA-N
XLogP0.69
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 62478119
2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid
CID 83062688
2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
CID 81078172
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 63618230
4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
CID 55075952
3-methoxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoic acid
CID 114570562
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
4-methoxy-2-[(3-methyl-5-nitroimidazol-4-yl)amino]butanoic acid
CID 62478995
2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
CID 106108396
5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
CID 81077805
2-[(3-chloropyrazin-2-yl)amino]hexanoic acid
CID 121204712

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid (CID 83063532) is 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid is COCCC(Nc1nccnc1C)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid?
The InChIKey is XCNWVUILSPWCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-9(12-5-4-11-7)13-8(10(14)15)3-6-16-2/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid?
4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 83063532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).