8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C14H18N4O4 — CID 56911531

IUPAC8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CCC3(CC2)CNC(C(=O)O)C3)n1
InChIInChI=1S/C14H18N4O4/c19-12(20)9-5-14(8-16-9)1-3-18(4-2-14)11-7-15-6-10(17-11)13(21)22/h6-7,9,16H,1-5,8H2,(H,19,20)(H,21,22)
InChIKeyYVYRMUDSRXQSLI-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.21
Rot. Bonds3

About 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56911531) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56911531
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CCC3(CC2)CNC(C(=O)O)C3)n1
InChIInChI=1S/C14H18N4O4/c19-12(20)9-5-14(8-16-9)1-3-18(4-2-14)11-7-15-6-10(17-11)13(21)22/h6-7,9,16H,1-5,8H2,(H,19,20)(H,21,22)
InChIKeyYVYRMUDSRXQSLI-UHFFFAOYSA-N
XLogP0.21
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56911531) is 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)c1cncc(N2CCC3(CC2)CNC(C(=O)O)C3)n1.
What is the InChIKey of 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is YVYRMUDSRXQSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c19-12(20)9-5-14(8-16-9)1-3-18(4-2-14)11-7-15-6-10(17-11)13(21)22/h6-7,9,16H,1-5,8H2,(H,19,20)(H,21,22).
What are the key properties of 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-carboxypyrazin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56911531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).