4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid

C11H13N3O5 — CID 66455443

IUPAC4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid
SMILESCOC(=O)c1cncc(N2CCOCC2C(=O)O)n1
InChIInChI=1S/C11H13N3O5/c1-18-11(17)7-4-12-5-9(13-7)14-2-3-19-6-8(14)10(15)16/h4-5,8H,2-3,6H2,1H3,(H,15,16)
InChIKeySMKCQYWCQPQLCR-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.45
Rot. Bonds3

About 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid

4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid (PubChem CID 66455443) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid
PubChem CID66455443
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid
SMILESCOC(=O)c1cncc(N2CCOCC2C(=O)O)n1
InChIInChI=1S/C11H13N3O5/c1-18-11(17)7-4-12-5-9(13-7)14-2-3-19-6-8(14)10(15)16/h4-5,8H,2-3,6H2,1H3,(H,15,16)
InChIKeySMKCQYWCQPQLCR-UHFFFAOYSA-N
XLogP-0.45
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid (CID 66455443) is 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid is COC(=O)c1cncc(N2CCOCC2C(=O)O)n1.
What is the InChIKey of 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid?
The InChIKey is SMKCQYWCQPQLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-18-11(17)7-4-12-5-9(13-7)14-2-3-19-6-8(14)10(15)16/h4-5,8H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid?
4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 66455443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).