(3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C15H20N4O3 — CID 95709228

IUPAC(3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cnc(C(=O)N2CC3(CCNCC3)C[C@H]2C(=O)O)cn1
InChIInChI=1S/C15H20N4O3/c1-10-7-18-11(8-17-10)13(20)19-9-15(2-4-16-5-3-15)6-12(19)14(21)22/h7-8,12,16H,2-6,9H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyLZUXGEIRGBKQGT-LBPRGKRZSA-N
MW304.35 g/mol
LogP0.45
Rot. Bonds2

About (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95709228) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95709228
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cnc(C(=O)N2CC3(CCNCC3)C[C@H]2C(=O)O)cn1
InChIInChI=1S/C15H20N4O3/c1-10-7-18-11(8-17-10)13(20)19-9-15(2-4-16-5-3-15)6-12(19)14(21)22/h7-8,12,16H,2-6,9H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyLZUXGEIRGBKQGT-LBPRGKRZSA-N
XLogP0.45
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95709228) is (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cnc(C(=O)N2CC3(CCNCC3)C[C@H]2C(=O)O)cn1.
What is the InChIKey of (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is LZUXGEIRGBKQGT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-7-18-11(8-17-10)13(20)19-9-15(2-4-16-5-3-15)6-12(19)14(21)22/h7-8,12,16H,2-6,9H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95709228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).