2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid

C13H19N3O3 — CID 122052164

IUPAC2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cncc(OCC2CCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-16(8-13(17)18)11-6-14-7-12(15-11)19-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyOEIXMVJPQUOTQI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.57
Rot. Bonds6

About 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid

2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid (PubChem CID 122052164) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid
PubChem CID122052164
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cncc(OCC2CCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-16(8-13(17)18)11-6-14-7-12(15-11)19-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyOEIXMVJPQUOTQI-UHFFFAOYSA-N
XLogP1.57
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid (CID 122052164) is 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid is CN(CC(=O)O)c1cncc(OCC2CCCC2)n1.
What is the InChIKey of 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid?
The InChIKey is OEIXMVJPQUOTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(8-13(17)18)11-6-14-7-12(15-11)19-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid?
2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclopentylmethoxy)pyrazin-2-yl]-methylamino]acetic acid is sourced from PubChem (CID 122052164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).