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

C11H15N3O4 — CID 113280252

IUPAC4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid
SMILESCOc1cncc(NC2(C(=O)O)CCOCC2)n1
InChIInChI=1S/C11H15N3O4/c1-17-9-7-12-6-8(13-9)14-11(10(15)16)2-4-18-5-3-11/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyFCNMQTHFRSAOLT-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.53
Rot. Bonds4

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

4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid (PubChem CID 113280252) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid
PubChem CID113280252
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid
SMILESCOc1cncc(NC2(C(=O)O)CCOCC2)n1
InChIInChI=1S/C11H15N3O4/c1-17-9-7-12-6-8(13-9)14-11(10(15)16)2-4-18-5-3-11/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyFCNMQTHFRSAOLT-UHFFFAOYSA-N
XLogP0.53
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 64889450
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-carboxylic acid
CID 115438674
1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441154
4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid
CID 115292176
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxamide
CID 133430656
4-[(4-methyl-5-nitro-2-pyridinyl)amino]oxane-4-carboxylic acid
CID 115292058
6-methoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine
CID 107425331
6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
CID 133400001
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 64889068

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid (CID 113280252) is 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid is COc1cncc(NC2(C(=O)O)CCOCC2)n1.
What is the InChIKey of 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid?
The InChIKey is FCNMQTHFRSAOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-9-7-12-6-8(13-9)14-11(10(15)16)2-4-18-5-3-11/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid?
4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 113280252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).