4-(spiro[4.5]decan-8-ylamino)butanoic acid

C14H25NO2 — CID 114817440

IUPAC4-(spiro[4.5]decan-8-ylamino)butanoic acid
SMILESO=C(O)CCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H25NO2/c16-13(17)4-3-11-15-12-5-9-14(10-6-12)7-1-2-8-14/h12,15H,1-11H2,(H,16,17)
InChIKeyPUVMRNJSHSODTI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.94
Rot. Bonds5

About 4-(spiro[4.5]decan-8-ylamino)butanoic acid

4-(spiro[4.5]decan-8-ylamino)butanoic acid (PubChem CID 114817440) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(spiro[4.5]decan-8-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(spiro[4.5]decan-8-ylamino)butanoic acid
PubChem CID114817440
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-(spiro[4.5]decan-8-ylamino)butanoic acid
SMILESO=C(O)CCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H25NO2/c16-13(17)4-3-11-15-12-5-9-14(10-6-12)7-1-2-8-14/h12,15H,1-11H2,(H,16,17)
InChIKeyPUVMRNJSHSODTI-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.94
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-(spiro[4.5]decan-8-ylamino)butanoic acid?
The IUPAC name of 4-(spiro[4.5]decan-8-ylamino)butanoic acid (CID 114817440) is 4-(spiro[4.5]decan-8-ylamino)butanoic acid.
What is the SMILES notation for 4-(spiro[4.5]decan-8-ylamino)butanoic acid?
The canonical SMILES for 4-(spiro[4.5]decan-8-ylamino)butanoic acid is O=C(O)CCCNC1CCC2(CCCC2)CC1.
What is the InChIKey of 4-(spiro[4.5]decan-8-ylamino)butanoic acid?
The InChIKey is PUVMRNJSHSODTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-13(17)4-3-11-15-12-5-9-14(10-6-12)7-1-2-8-14/h12,15H,1-11H2,(H,16,17).
What are the key properties of 4-(spiro[4.5]decan-8-ylamino)butanoic acid?
4-(spiro[4.5]decan-8-ylamino)butanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(spiro[4.5]decan-8-ylamino)butanoic acid is sourced from PubChem (CID 114817440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).