9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid

C14H26N2O2 — CID 66660936

IUPAC9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESCCCCN1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C14H26N2O2/c1-2-3-8-15-9-4-14(5-10-15)6-11-16(12-7-14)13(17)18/h2-12H2,1H3,(H,17,18)
InChIKeyVHOKZJHFTDDGMN-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.64
Rot. Bonds3

About 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid

9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 66660936) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
PubChem CID66660936
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESCCCCN1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C14H26N2O2/c1-2-3-8-15-9-4-14(5-10-15)6-11-16(12-7-14)13(17)18/h2-12H2,1H3,(H,17,18)
InChIKeyVHOKZJHFTDDGMN-UHFFFAOYSA-N
XLogP2.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3234045
Methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234397
2-Fluoro-4,4-dimethylpiperidine-1-carboxylic acid
CID 67250837
9-(2,2-Difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 151063050
9-(2,2-Difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 151063049
4-(Diethylaminomethyl)piperidine-1-carboxylic acid
CID 19976082
3,3-Dimethylpiperidine-1-carboxylic acid
CID 19976085
4,4-Dimethylpiperidine-1-carboxylic acid
CID 19976088
4-Tert-butylpiperidine-1-carboxylic acid
CID 21983949
4-[(Dimethylamino)methyl]piperidine-1-carboxylic acid
CID 22349183
Tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 58808179
4-Tert-butylpiperidine-1-carboxylic acid;rutherfordium
CID 60007907

Frequently Asked Questions

What is the IUPAC name of 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid (CID 66660936) is 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid is CCCCN1CCC2(CC1)CCN(C(=O)O)CC2.
What is the InChIKey of 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is VHOKZJHFTDDGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-3-8-15-9-4-14(5-10-15)6-11-16(12-7-14)13(17)18/h2-12H2,1H3,(H,17,18).
What are the key properties of 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 66660936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).