2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid

C15H24N2O2 — CID 155438562

IUPAC2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)C1(CC#N)CC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C15H24N2O2/c1-13(2,3)15(4-7-16)10-14(11-15)5-8-17(9-6-14)12(18)19/h4-6,8-11H2,1-3H3,(H,18,19)
InChIKeyDYKGNIRNTRMPNQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds1

About 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid

2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 155438562) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID155438562
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)C1(CC#N)CC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C15H24N2O2/c1-13(2,3)15(4-7-16)10-14(11-15)5-8-17(9-6-14)12(18)19/h4-6,8-11H2,1-3H3,(H,18,19)
InChIKeyDYKGNIRNTRMPNQ-UHFFFAOYSA-N
XLogP3.49
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 146599492
4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid
CID 66661129
4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 174427602
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile
CID 130256652
9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66701001
tert-butyl 4-(cyanomethyl)-4-methoxypiperidine-1-carboxylate
CID 101392924
tert-butyl 9-(2-cyanoacetyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 122145688
tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
CID 137433030
4-cyano-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 118238467
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid (CID 155438562) is 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid is CC(C)(C)C1(CC#N)CC2(CCN(C(=O)O)CC2)C1.
What is the InChIKey of 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is DYKGNIRNTRMPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13(2,3)15(4-7-16)10-14(11-15)5-8-17(9-6-14)12(18)19/h4-6,8-11H2,1-3H3,(H,18,19).
What are the key properties of 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid?
2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 155438562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).