(2S)-2-amino-3-pyrazin-2-ylpropanoic acid

C7H9N3O2 — CID 23600245

IUPAC(2S)-2-amino-3-pyrazin-2-ylpropanoic acid
SMILESN[C@@H](Cc1cnccn1)C(=O)O
InChIInChI=1S/C7H9N3O2/c8-6(7(11)12)3-5-4-9-1-2-10-5/h1-2,4,6H,3,8H2,(H,11,12)/t6-/m0/s1
InChIKeyJNNCNURVELPUNP-LURJTMIESA-N
MW167.17 g/mol
LogP-0.57
Rot. Bonds3

About (2S)-2-amino-3-pyrazin-2-ylpropanoic acid

(2S)-2-amino-3-pyrazin-2-ylpropanoic acid (PubChem CID 23600245) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (2S)-2-amino-3-pyrazin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-pyrazin-2-ylpropanoic acid
PubChem CID23600245
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(2S)-2-amino-3-pyrazin-2-ylpropanoic acid
SMILESN[C@@H](Cc1cnccn1)C(=O)O
InChIInChI=1S/C7H9N3O2/c8-6(7(11)12)3-5-4-9-1-2-10-5/h1-2,4,6H,3,8H2,(H,11,12)/t6-/m0/s1
InChIKeyJNNCNURVELPUNP-LURJTMIESA-N
XLogP-0.57
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-pyrazin-2-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-pyrazin-2-ylpropanoic acid (CID 23600245) is (2S)-2-amino-3-pyrazin-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-pyrazin-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-pyrazin-2-ylpropanoic acid is N[C@@H](Cc1cnccn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-pyrazin-2-ylpropanoic acid?
The InChIKey is JNNCNURVELPUNP-LURJTMIESA-N. The full InChI is InChI=1S/C7H9N3O2/c8-6(7(11)12)3-5-4-9-1-2-10-5/h1-2,4,6H,3,8H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-pyrazin-2-ylpropanoic acid?
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid has a molecular weight of 167.17 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-pyrazin-2-ylpropanoic acid is sourced from PubChem (CID 23600245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).