5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid

C10H11N3O4 — CID 120689034

IUPAC5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCOC1CN(C(=O)c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C10H11N3O4/c1-17-6-4-13(5-6)9(14)7-2-12-8(3-11-7)10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyLUTZCBIHRMQRMO-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.35
Rot. Bonds3

About 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid

5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 120689034) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID120689034
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCOC1CN(C(=O)c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C10H11N3O4/c1-17-6-4-13(5-6)9(14)7-2-12-8(3-11-7)10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyLUTZCBIHRMQRMO-UHFFFAOYSA-N
XLogP-0.35
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)pyrazine-2-carboxylic acid
CID 120689040
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107377317
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103803161
(5-hydrazinyl-2-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103538701
methyl 4-(3-methoxyazetidine-1-carbonyl)benzoate
CID 91755368
5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120690280
5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685797

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid (CID 120689034) is 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid is COC1CN(C(=O)c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is LUTZCBIHRMQRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-17-6-4-13(5-6)9(14)7-2-12-8(3-11-7)10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid?
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).