1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid

C13H21NO2 — CID 115437046

IUPAC1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CN2CC3(CC3)C2)CCCCC1
InChIInChI=1S/C13H21NO2/c15-11(16)13(4-2-1-3-5-13)10-14-8-12(9-14)6-7-12/h1-10H2,(H,15,16)
InChIKeyMYYFHXDLSLOPIE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds3

About 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid

1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 115437046) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID115437046
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CN2CC3(CC3)C2)CCCCC1
InChIInChI=1S/C13H21NO2/c15-11(16)13(4-2-1-3-5-13)10-14-8-12(9-14)6-7-12/h1-10H2,(H,15,16)
InChIKeyMYYFHXDLSLOPIE-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azaspiro[3.6]decan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115444857
1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid
CID 115447033
1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 113310914
4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid
CID 113310310
1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310913
1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 170612788
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-[(3-propan-2-ylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310916
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 63003828
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79170953

Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid (CID 115437046) is 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(CN2CC3(CC3)C2)CCCCC1.
What is the InChIKey of 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is MYYFHXDLSLOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-11(16)13(4-2-1-3-5-13)10-14-8-12(9-14)6-7-12/h1-10H2,(H,15,16).
What are the key properties of 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid?
1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 223.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115437046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).