2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid

C14H22N2O2 — CID 146599492

IUPAC2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)C1(C#N)CC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C14H22N2O2/c1-12(2,3)14(10-15)8-13(9-14)4-6-16(7-5-13)11(17)18/h4-9H2,1-3H3,(H,17,18)
InChIKeyNRVKJXFZJZWGPF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds

About 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid

2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 146599492) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID146599492
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)C1(C#N)CC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C14H22N2O2/c1-12(2,3)14(10-15)8-13(9-14)4-6-16(7-5-13)11(17)18/h4-9H2,1-3H3,(H,17,18)
InChIKeyNRVKJXFZJZWGPF-UHFFFAOYSA-N
XLogP3.10
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 155438562
tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
CID 137433030
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
4-cyano-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 118238467
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
CID 146500878
4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid
CID 66661129
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90725084
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid (CID 146599492) is 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid is CC(C)(C)C1(C#N)CC2(CCN(C(=O)O)CC2)C1.
What is the InChIKey of 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is NRVKJXFZJZWGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(2,3)14(10-15)8-13(9-14)4-6-16(7-5-13)11(17)18/h4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid?
2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 146599492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).