3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

C15H21N3O2 — CID 174209230

IUPAC3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CC12CN(c1ccccn1)C2
InChIInChI=1S/C15H21N3O2/c1-14(2,3)12-15(10-18(12)13(19)20)8-17(9-15)11-6-4-5-7-16-11/h4-7,12H,8-10H2,1-3H3,(H,19,20)
InChIKeyBNPFGHTXHPSCSH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.30
Rot. Bonds1

About 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 174209230) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
PubChem CID174209230
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CC12CN(c1ccccn1)C2
InChIInChI=1S/C15H21N3O2/c1-14(2,3)12-15(10-18(12)13(19)20)8-17(9-15)11-6-4-5-7-16-11/h4-7,12H,8-10H2,1-3H3,(H,19,20)
InChIKeyBNPFGHTXHPSCSH-UHFFFAOYSA-N
XLogP2.30
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
tert-butyl 2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 74946314
(3aR,8aR)-5-acetyl-2-pyridin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 97386719
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylcyclopropanecarboxamide
CID 110124176
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(2R)-5-oxo-1-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 129395627
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
(2S)-2-amino-3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 61148077

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid (CID 174209230) is 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid is CC(C)(C)C1N(C(=O)O)CC12CN(c1ccccn1)C2.
What is the InChIKey of 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is BNPFGHTXHPSCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-14(2,3)12-15(10-18(12)13(19)20)8-17(9-15)11-6-4-5-7-16-11/h4-7,12H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 174209230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).