1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid

C15H25NO2 — CID 113310914

IUPAC1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(CN2CC3(CCC3)C2)CCCCCC1
InChIInChI=1S/C15H25NO2/c17-13(18)15(8-3-1-2-4-9-15)12-16-10-14(11-16)6-5-7-14/h1-12H2,(H,17,18)
InChIKeyOXUGIENHMJVVNE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds3

About 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid

1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid (PubChem CID 113310914) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid
PubChem CID113310914
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(CN2CC3(CCC3)C2)CCCCCC1
InChIInChI=1S/C15H25NO2/c17-13(18)15(8-3-1-2-4-9-15)12-16-10-14(11-16)6-5-7-14/h1-12H2,(H,17,18)
InChIKeyOXUGIENHMJVVNE-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid
CID 115447033
1-(2-azaspiro[3.6]decan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115444857
1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
CID 115437046
4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid
CID 113310310
1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 170612788
1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310913
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115562002
[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
CID 104550634
2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid
CID 81166807
1-[(3-propan-2-ylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310916
1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 63003828

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid (CID 113310914) is 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid is O=C(O)C1(CN2CC3(CCC3)C2)CCCCCC1.
What is the InChIKey of 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid?
The InChIKey is OXUGIENHMJVVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-13(18)15(8-3-1-2-4-9-15)12-16-10-14(11-16)6-5-7-14/h1-12H2,(H,17,18).
What are the key properties of 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid?
1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid has a molecular weight of 251.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 113310914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).