4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid

C14H21N3O4 — CID 115438744

IUPAC4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
SMILESCCCOc1cncc(NCC2(C(=O)O)CCOCC2)n1
InChIInChI=1S/C14H21N3O4/c1-2-5-21-12-9-15-8-11(17-12)16-10-14(13(18)19)3-6-20-7-4-14/h8-9H,2-7,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyDALJSOQLPDUTEU-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.56
Rot. Bonds7

About 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid

4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 115438744) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
PubChem CID115438744
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
SMILESCCCOc1cncc(NCC2(C(=O)O)CCOCC2)n1
InChIInChI=1S/C14H21N3O4/c1-2-5-21-12-9-15-8-11(17-12)16-10-14(13(18)19)3-6-20-7-4-14/h8-9H,2-7,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyDALJSOQLPDUTEU-UHFFFAOYSA-N
XLogP1.56
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450341
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxamide
CID 133430656
1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309144
2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162308
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
4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid
CID 113280252
3-[[(6-propoxypyrazin-2-yl)amino]methyl]pentanoic acid
CID 81069018
2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid
CID 64669262
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid (CID 115438744) is 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid is CCCOc1cncc(NCC2(C(=O)O)CCOCC2)n1.
What is the InChIKey of 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is DALJSOQLPDUTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-5-21-12-9-15-8-11(17-12)16-10-14(13(18)19)3-6-20-7-4-14/h8-9H,2-7,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid?
4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115438744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).