4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid

C15H24N2O3 — CID 122023871

IUPAC4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CC3(CCCC3)C2)CC1
InChIInChI=1S/C15H24N2O3/c18-13(19)11-3-5-12(6-4-11)16-14(20)17-9-15(10-17)7-1-2-8-15/h11-12H,1-10H2,(H,16,20)(H,18,19)
InChIKeyLWAQMRQMGRKGEF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.22
Rot. Bonds2

About 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid

4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 122023871) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID122023871
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CC3(CCCC3)C2)CC1
InChIInChI=1S/C15H24N2O3/c18-13(19)11-3-5-12(6-4-11)16-14(20)17-9-15(10-17)7-1-2-8-15/h11-12H,1-10H2,(H,16,20)(H,18,19)
InChIKeyLWAQMRQMGRKGEF-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 122023871) is 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CC3(CCCC3)C2)CC1.
What is the InChIKey of 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LWAQMRQMGRKGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-13(19)11-3-5-12(6-4-11)16-14(20)17-9-15(10-17)7-1-2-8-15/h11-12H,1-10H2,(H,16,20)(H,18,19).
What are the key properties of 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid?
4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).