1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid

C11H15N3O3 — CID 115450341

IUPAC1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCOc1cncc(NCC2(C(=O)O)CC2)n1
InChIInChI=1S/C11H15N3O3/c1-2-17-9-6-12-5-8(14-9)13-7-11(3-4-11)10(15)16/h5-6H,2-4,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZVQRLTFJNZDXCY-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.15
Rot. Bonds6

About 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450341) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450341
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCOc1cncc(NCC2(C(=O)O)CC2)n1
InChIInChI=1S/C11H15N3O3/c1-2-17-9-6-12-5-8(14-9)13-7-11(3-4-11)10(15)16/h5-6H,2-4,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZVQRLTFJNZDXCY-UHFFFAOYSA-N
XLogP1.15
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438674
1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436121
1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309144
4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438744
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxamide
CID 133430656
1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441154
3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 64889450
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162308
1-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 114474633
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
2-[4-[[(6-ethoxypyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457841

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115450341) is 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid is CCOc1cncc(NCC2(C(=O)O)CC2)n1.
What is the InChIKey of 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZVQRLTFJNZDXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-9-6-12-5-8(14-9)13-7-11(3-4-11)10(15)16/h5-6H,2-4,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).