2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid

C14H21N3O3 — CID 64701575

IUPAC2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
SMILESCCOc1cncc(NC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H21N3O3/c1-2-20-12-10-15-9-11(16-12)17-14(8-13(18)19)6-4-3-5-7-14/h9-10H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyBDQXWDIDXZEBSE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds6

About 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid

2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid (PubChem CID 64701575) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
PubChem CID64701575
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
SMILESCCOc1cncc(NC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H21N3O3/c1-2-20-12-10-15-9-11(16-12)17-14(8-13(18)19)6-4-3-5-7-14/h9-10H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyBDQXWDIDXZEBSE-UHFFFAOYSA-N
XLogP2.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701576
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
CID 64701383
3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 64889450
1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450341
2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162308
6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine
CID 107426019
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438674
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436121
2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 66286602
2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 64701746
(6-ethoxypyrazin-2-yl)thiourea
CID 90714777

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid (CID 64701575) is 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid is CCOc1cncc(NC2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid?
The InChIKey is BDQXWDIDXZEBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-12-10-15-9-11(16-12)17-14(8-13(18)19)6-4-3-5-7-14/h9-10H,2-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid?
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64701575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).