5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid

C14H17N3O5 — CID 120695909

IUPAC5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC2CCOC3(CCOC3)C2)cn1
InChIInChI=1S/C14H17N3O5/c18-12(10-6-16-11(7-15-10)13(19)20)17-9-1-3-22-14(5-9)2-4-21-8-14/h6-7,9H,1-5,8H2,(H,17,18)(H,19,20)
InChIKeyZJWOWNHLGNHNPA-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.24
Rot. Bonds3

About 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid

5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 120695909) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID120695909
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC2CCOC3(CCOC3)C2)cn1
InChIInChI=1S/C14H17N3O5/c18-12(10-6-16-11(7-15-10)13(19)20)17-9-1-3-22-14(5-9)2-4-21-8-14/h6-7,9H,1-5,8H2,(H,17,18)(H,19,20)
InChIKeyZJWOWNHLGNHNPA-UHFFFAOYSA-N
XLogP0.24
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
CID 166196304
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061
5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid
CID 167981476
2-[2-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)phenyl]sulfanylpropanoic acid
CID 120695926
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
CID 124887284
N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 124780552
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052
N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide
CID 124883194
1-(2,5-dimethylphenyl)-3-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]urea
CID 97255707
N-[(5R,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855812
2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99929661

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid (CID 120695909) is 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NC2CCOC3(CCOC3)C2)cn1.
What is the InChIKey of 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is ZJWOWNHLGNHNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c18-12(10-6-16-11(7-15-10)13(19)20)17-9-1-3-22-14(5-9)2-4-21-8-14/h6-7,9H,1-5,8H2,(H,17,18)(H,19,20).
What are the key properties of 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid?
5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120695909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).