2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid

C12H17N3O4 — CID 66435962

IUPAC2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
SMILESCCOc1cncc(N2CCOC(CC(=O)O)C2)n1
InChIInChI=1S/C12H17N3O4/c1-2-18-11-7-13-6-10(14-11)15-3-4-19-9(8-15)5-12(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyHVMIBGPGULDNGU-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.56
Rot. Bonds5

About 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid

2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid (PubChem CID 66435962) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
PubChem CID66435962
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
SMILESCCOc1cncc(N2CCOC(CC(=O)O)C2)n1
InChIInChI=1S/C12H17N3O4/c1-2-18-11-7-13-6-10(14-11)15-3-4-19-9(8-15)5-12(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyHVMIBGPGULDNGU-UHFFFAOYSA-N
XLogP0.56
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-methoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66433439
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
2-[4-(6-ethoxy-5-methylpyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66434220
2-[4-(6-ethoxypyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248952
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959
(4aR,8aS)-4-(6-ethoxypyrazin-2-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 129446161
2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433050
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine
CID 102960945
2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
CID 80674111
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid (CID 66435962) is 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid is CCOc1cncc(N2CCOC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid?
The InChIKey is HVMIBGPGULDNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-18-11-7-13-6-10(14-11)15-3-4-19-9(8-15)5-12(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid?
2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).