2-methyl-2-(pyrazin-2-ylamino)pentanoic acid

C10H15N3O2 — CID 43619349

IUPAC2-methyl-2-(pyrazin-2-ylamino)pentanoic acid
SMILESCCCC(C)(Nc1cnccn1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-3-4-10(2,9(14)15)13-8-7-11-5-6-12-8/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXMZFLGPXDMFSKC-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.53
Rot. Bonds5

About 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid

2-methyl-2-(pyrazin-2-ylamino)pentanoic acid (PubChem CID 43619349) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(pyrazin-2-ylamino)pentanoic acid
PubChem CID43619349
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-2-(pyrazin-2-ylamino)pentanoic acid
SMILESCCCC(C)(Nc1cnccn1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-3-4-10(2,9(14)15)13-8-7-11-5-6-12-8/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXMZFLGPXDMFSKC-UHFFFAOYSA-N
XLogP1.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid (CID 43619349) is 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid is CCCC(C)(Nc1cnccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid?
The InChIKey is XMZFLGPXDMFSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-10(2,9(14)15)13-8-7-11-5-6-12-8/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid?
2-methyl-2-(pyrazin-2-ylamino)pentanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pyrazin-2-ylamino)pentanoic acid is sourced from PubChem (CID 43619349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).