2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid

C10H13N3O2 — CID 121230346

IUPAC2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid
SMILESO=C(O)CNC(c1cnccn1)C1CC1
InChIInChI=1S/C10H13N3O2/c14-9(15)6-13-10(7-1-2-7)8-5-11-3-4-12-8/h3-5,7,10,13H,1-2,6H2,(H,14,15)
InChIKeyLYWFGTKCHKEQDJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.60
Rot. Bonds5

About 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid

2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid (PubChem CID 121230346) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid
PubChem CID121230346
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid
SMILESO=C(O)CNC(c1cnccn1)C1CC1
InChIInChI=1S/C10H13N3O2/c14-9(15)6-13-10(7-1-2-7)8-5-11-3-4-12-8/h3-5,7,10,13H,1-2,6H2,(H,14,15)
InChIKeyLYWFGTKCHKEQDJ-UHFFFAOYSA-N
XLogP0.60
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid (CID 121230346) is 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid is O=C(O)CNC(c1cnccn1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid?
The InChIKey is LYWFGTKCHKEQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9(15)6-13-10(7-1-2-7)8-5-11-3-4-12-8/h3-5,7,10,13H,1-2,6H2,(H,14,15).
What are the key properties of 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid?
2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid has a molecular weight of 207.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(pyrazin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 121230346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).