4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid

C14H24N2O3 — CID 55158147

IUPAC4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H24N2O3/c17-12(18)4-3-9-15-13(19)16-10-7-14(8-11-16)5-1-2-6-14/h1-11H2,(H,15,19)(H,17,18)
InChIKeyAYKLWQXMOYJLOI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds4

About 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid

4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid (PubChem CID 55158147) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid
PubChem CID55158147
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H24N2O3/c17-12(18)4-3-9-15-13(19)16-10-7-14(8-11-16)5-1-2-6-14/h1-11H2,(H,15,19)(H,17,18)
InChIKeyAYKLWQXMOYJLOI-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid?
The IUPAC name of 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid (CID 55158147) is 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid.
What is the SMILES notation for 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid?
The canonical SMILES for 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid is O=C(O)CCCNC(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid?
The InChIKey is AYKLWQXMOYJLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12(18)4-3-9-15-13(19)16-10-7-14(8-11-16)5-1-2-6-14/h1-11H2,(H,15,19)(H,17,18).
What are the key properties of 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid?
4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decane-8-carbonylamino)butanoic acid is sourced from PubChem (CID 55158147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).